Browse entries in the PDBbind-CN Database
HEADER 6DF4_COMPLEX COMPND 6DF4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 ASP ASP ASP GLN VAL ALA PHE SER PHE ILE LEU ASP ASN SEQRES 2 A 134 ILE VAL THR GLN LYS MET MET ALA VAL PRO ASP SER TRP SEQRES 3 A 134 PRO PHE HIS HIS PRO VAL ASN LYS LYS PHE VAL PRO ASP SEQRES 4 A 134 TYR TYR LYS VAL ILE VAL ASN PRO MET ASP LEU GLU THR SEQRES 5 A 134 ILE ARG LYS ASN ILE SER LYS HIS LYS TYR GLN SER ARG SEQRES 6 A 134 GLU SER PHE LEU ASP ASP VAL ASN LEU ILE LEU ALA ASN SEQRES 7 A 134 SER VAL LYS TYR ASN GLY PRO GLU SER GLN TYR THR LYS SEQRES 8 A 134 THR ALA GLN GLU ILE VAL ASN VAL CYS TYR GLN THR LEU SEQRES 9 A 134 THR GLU TYR ASP GLU HIS LEU THR GLN LEU GLU LYS ASP SEQRES 10 A 134 ILE CYS THR ALA LYS GLU ALA ALA LEU GLU GLU ALA GLU SEQRES 11 A 134 LEU GLU SER LEU HET G A 9Y 51 ATOM 1 N ASP A1501 0.641 -17.362 -4.908 1.00 30.20 N ATOM 2 CA ASP A1501 0.150 -15.998 -4.734 1.00 27.73 C ATOM 3 C ASP A1501 1.241 -15.027 -4.221 1.00 29.68 C ATOM 4 O ASP A1501 1.511 -14.943 -3.028 1.00 28.65 O ATOM 5 CB ASP A1501 -1.104 -15.971 -3.840 1.00 29.31 C ATOM 6 CG ASP A1501 -1.831 -14.642 -3.767 1.00 32.65 C ATOM 7 OD1 ASP A1501 -1.177 -13.584 -3.985 1.00 26.73 O ATOM 8 OD2 ASP A1501 -3.052 -14.649 -3.476 1.00 37.29 O ATOM 9 HN3 ASP A1501 0.985 -17.724 -3.996 1.00 0.00 H ATOM 10 HN2 ASP A1501 1.418 -17.364 -5.599 1.00 0.00 H ATOM 11 HN1 ASP A1501 -0.132 -17.966 -5.253 1.00 0.00 H ATOM 12 N ASP A1502 1.824 -14.263 -5.134 1.00 22.20 N ATOM 13 CA ASP A1502 2.869 -13.290 -4.805 1.00 19.70 C ATOM 14 C ASP A1502 2.344 -11.879 -4.917 1.00 19.30 C ATOM 15 O ASP A1502 3.141 -10.961 -5.129 1.00 17.11 O ATOM 16 CB ASP A1502 4.031 -13.481 -5.793 1.00 20.14 C ATOM 17 CG ASP A1502 3.694 -13.229 -7.262 1.00 23.09 C ATOM 18 OD1 ASP A1502 2.493 -13.265 -7.625 1.00 24.42 O ATOM 19 OD2 ASP A1502 4.610 -13.010 -8.040 1.00 25.45 O ATOM 20 H ASP A1502 1.527 -14.358 -6.126 1.00 0.00 H ATOM 21 N ASP A1503 1.029 -11.679 -4.799 1.00 17.46 N ATOM 22 CA ASP A1503 0.429 -10.371 -5.014 1.00 16.44 C ATOM 23 C ASP A1503 0.993 -9.276 -4.120 1.00 17.52 C ATOM 24 O ASP A1503 1.306 -8.195 -4.622 1.00 15.56 O ATOM 25 CB ASP A1503 -1.104 -10.413 -4.907 1.00 18.56 C ATOM 26 CG ASP A1503 -1.820 -11.205 -5.982 1.00 21.36 C ATOM 27 OD1 ASP A1503 -1.200 -11.511 -7.035 1.00 21.71 O ATOM 28 OD2 ASP A1503 -3.007 -11.537 -5.776 1.00 25.26 O ATOM 29 H ASP A1503 0.417 -12.481 -4.546 1.00 0.00 H ATOM 30 N GLN A1504 1.190 -9.534 -2.825 1.00 15.87 N ATOM 31 CA GLN A1504 1.738 -8.498 -1.939 1.00 16.93 C ATOM 32 C GLN A1504 3.190 -8.174 -2.288 1.00 17.86 C ATOM 33 O GLN A1504 3.567 -6.992 -2.315 1.00 16.55 O ATOM 34 CB GLN A1504 1.575 -8.858 -0.469 1.00 20.70 C ATOM 35 CG GLN A1504 2.051 -7.758 0.470 1.00 22.18 C ATOM 36 CD GLN A1504 1.228 -6.488 0.475 1.00 28.37 C ATOM 37 OE1 GLN A1504 0.092 -6.495 0.950 1.00 32.48 O ATOM 38 NE2 GLN A1504 1.784 -5.350 -0.042 1.00 21.25 N ATOM 39 HE22 GLN A1504 2.746 -5.374 -0.437 1.00 0.00 H ATOM 40 HE21 GLN A1504 1.245 -4.461 -0.040 1.00 0.00 H ATOM 41 H GLN A1504 0.955 -10.472 -2.442 1.00 0.00 H ATOM 42 N VAL A1505 4.004 -9.180 -2.616 1.00 16.05 N ATOM 43 CA VAL A1505 5.387 -8.953 -3.001 1.00 15.71 C ATOM 44 C VAL A1505 5.433 -8.158 -4.317 1.00 14.64 C ATOM 45 O VAL A1505 6.258 -7.237 -4.442 1.00 14.77 O ATOM 46 CB VAL A1505 6.188 -10.282 -3.029 1.00 18.61 C ATOM 47 CG1 VAL A1505 7.564 -10.133 -3.664 1.00 17.78 C ATOM 48 CG2 VAL A1505 6.321 -10.853 -1.616 1.00 19.60 C ATOM 49 H VAL A1505 3.638 -10.153 -2.595 1.00 0.00 H ATOM 50 N ALA A1506 4.559 -8.487 -5.277 1.00 13.79 N ATOM 51 CA ALA A1506 4.532 -7.774 -6.559 1.00 12.91 C ATOM 52 C ALA A1506 4.086 -6.314 -6.358 1.00 12.63 C ATOM 53 O ALA A1506 4.647 -5.411 -6.972 1.00 13.18 O ATOM 54 CB ALA A1506 3.602 -8.469 -7.542 1.00 14.85 C ATOM 55 H ALA A1506 3.887 -9.263 -5.111 1.00 0.00 H ATOM 56 N PHE A1507 3.107 -6.094 -5.488 1.00 12.50 N ATOM 57 CA PHE A1507 2.600 -4.752 -5.185 1.00 12.58 C ATOM 58 C PHE A1507 3.693 -3.906 -4.539 1.00 13.21 C ATOM 59 O PHE A1507 4.003 -2.797 -4.986 1.00 13.10 O ATOM 60 CB PHE A1507 1.370 -4.900 -4.270 1.00 13.41 C ATOM 61 CG PHE A1507 0.642 -3.616 -3.981 1.00 13.31 C ATOM 62 CD1 PHE A1507 -0.291 -3.107 -4.882 1.00 15.87 C ATOM 63 CD2 PHE A1507 0.890 -2.911 -2.811 1.00 14.11 C ATOM 64 CE1 PHE A1507 -0.963 -1.912 -4.602 1.00 15.75 C ATOM 65 CE2 PHE A1507 0.195 -1.729 -2.536 1.00 15.90 C ATOM 66 CZ PHE A1507 -0.663 -1.218 -3.473 1.00 15.74 C ATOM 67 H PHE A1507 2.682 -6.908 -5.001 1.00 0.00 H ATOM 68 N SER A1508 4.353 -4.475 -3.541 1.00 13.81 N ATOM 69 CA SER A1508 5.446 -3.795 -2.860 1.00 13.72 C ATOM 70 C SER A1508 6.629 -3.539 -3.779 1.00 13.91 C ATOM 71 O SER A1508 7.277 -2.487 -3.654 1.00 13.70 O ATOM 72 CB SER A1508 5.860 -4.594 -1.629 1.00 16.31 C ATOM 73 OG SER A1508 4.850 -4.523 -0.629 1.00 17.59 O ATOM 74 HG SER A1508 5.133 -5.046 0.162 1.00 0.00 H ATOM 75 H SER A1508 4.084 -5.432 -3.236 1.00 0.00 H ATOM 76 N PHE A1509 6.923 -4.447 -4.727 1.00 13.37 N ATOM 77 CA PHE A1509 8.008 -4.233 -5.675 1.00 12.36 C ATOM 78 C PHE A1509 7.738 -2.969 -6.502 1.00 13.04 C ATOM 79 O PHE A1509 8.657 -2.167 -6.724 1.00 13.57 O ATOM 80 CB PHE A1509 8.122 -5.472 -6.594 1.00 14.22 C ATOM 81 CG PHE A1509 9.104 -5.334 -7.729 1.00 14.20 C ATOM 82 CD1 PHE A1509 10.431 -5.743 -7.583 1.00 15.85 C ATOM 83 CD2 PHE A1509 8.697 -4.856 -8.963 1.00 15.54 C ATOM 84 CE1 PHE A1509 11.351 -5.615 -8.641 1.00 17.02 C ATOM 85 CE2 PHE A1509 9.614 -4.725 -10.022 1.00 17.17 C ATOM 86 CZ PHE A1509 10.931 -5.112 -9.855 1.00 16.53 C ATOM 87 H PHE A1509 6.363 -5.321 -4.784 1.00 0.00 H ATOM 88 N ILE A1510 6.499 -2.792 -6.982 1.00 12.81 N ATOM 89 CA ILE A1510 6.165 -1.611 -7.793 1.00 12.65 C ATOM 90 C ILE A1510 6.364 -0.337 -6.942 1.00 13.32 C ATOM 91 O ILE A1510 7.018 0.617 -7.383 1.00 13.40 O ATOM 92 CB ILE A1510 4.726 -1.715 -8.356 1.00 14.02 C ATOM 93 CG1 ILE A1510 4.682 -2.820 -9.414 1.00 14.75 C ATOM 94 CG2 ILE A1510 4.280 -0.364 -8.970 1.00 14.29 C ATOM 95 CD1 ILE A1510 3.233 -3.246 -9.824 1.00 18.27 C ATOM 96 H ILE A1510 5.764 -3.499 -6.778 1.00 0.00 H ATOM 97 N LEU A1511 5.841 -0.330 -5.718 1.00 11.64 N ATOM 98 CA LEU A1511 5.969 0.881 -4.888 1.00 11.90 C ATOM 99 C LEU A1511 7.424 1.178 -4.549 1.00 12.92 C ATOM 100 O LEU A1511 7.857 2.340 -4.595 1.00 12.87 O ATOM 101 CB LEU A1511 5.194 0.709 -3.572 1.00 12.53 C ATOM 102 CG LEU A1511 3.693 0.451 -3.691 1.00 14.07 C ATOM 103 CD1 LEU A1511 3.047 0.480 -2.301 1.00 15.01 C ATOM 104 CD2 LEU A1511 2.998 1.491 -4.611 1.00 15.71 C ATOM 105 H LEU A1511 5.348 -1.169 -5.352 1.00 0.00 H ATOM 106 N ASP A1512 8.199 0.150 -4.200 1.00 12.23 N ATOM 107 CA ASP A1512 9.592 0.375 -3.840 1.00 12.70 C ATOM 108 C ASP A1512 10.393 0.966 -5.005 1.00 13.12 C ATOM 109 O ASP A1512 11.219 1.868 -4.797 1.00 13.31 O ATOM 110 CB ASP A1512 10.285 -0.906 -3.329 1.00 14.23 C ATOM 111 CG ASP A1512 11.581 -0.559 -2.623 1.00 16.44 C ATOM 112 OD1 ASP A1512 11.531 0.217 -1.627 1.00 17.84 O ATOM 113 OD2 ASP A1512 12.635 -1.037 -3.070 1.00 21.00 O ATOM 114 H ASP A1512 7.808 -0.814 -4.185 1.00 0.00 H ATOM 115 N ASN A1513 10.154 0.480 -6.225 1.00 13.31 N ATOM 116 CA ASN A1513 10.873 1.001 -7.371 1.00 13.62 C ATOM 117 C ASN A1513 10.436 2.431 -7.701 1.00 14.65 C ATOM 118 O ASN A1513 11.282 3.244 -8.115 1.00 15.06 O ATOM 119 CB ASN A1513 10.758 0.047 -8.526 1.00 16.81 C ATOM 120 CG ASN A1513 11.739 -1.089 -8.272 1.00 23.12 C ATOM 121 OD1 ASN A1513 12.956 -0.917 -8.338 1.00 26.20 O ATOM 122 ND2 ASN A1513 11.241 -2.241 -7.863 1.00 29.23 N ATOM 123 HD22 ASN A1513 10.211 -2.373 -7.812 1.00 0.00 H ATOM 124 HD21 ASN A1513 11.879 -3.016 -7.592 1.00 0.00 H ATOM 125 H ASN A1513 9.450 -0.275 -6.354 1.00 0.00 H ATOM 126 N ILE A1514 9.165 2.796 -7.448 1.00 12.75 N ATOM 127 CA ILE A1514 8.797 4.207 -7.627 1.00 12.77 C ATOM 128 C ILE A1514 9.576 5.069 -6.636 1.00 14.00 C ATOM 129 O ILE A1514 10.085 6.138 -7.032 1.00 13.86 O ATOM 130 CB ILE A1514 7.290 4.388 -7.483 1.00 14.29 C ATOM 131 CG1 ILE A1514 6.581 3.684 -8.657 1.00 14.91 C ATOM 132 CG2 ILE A1514 6.901 5.898 -7.409 1.00 15.43 C ATOM 133 CD1 ILE A1514 5.097 3.601 -8.549 1.00 18.32 C ATOM 134 H ILE A1514 8.462 2.097 -7.134 1.00 0.00 H ATOM 135 N VAL A1515 9.711 4.614 -5.394 1.00 12.19 N ATOM 136 CA VAL A1515 10.457 5.398 -4.409 1.00 12.23 C ATOM 137 C VAL A1515 11.930 5.526 -4.805 1.00 13.72 C ATOM 138 O VAL A1515 12.476 6.639 -4.810 1.00 13.54 O ATOM 139 CB VAL A1515 10.326 4.829 -2.975 1.00 13.66 C ATOM 140 CG1 VAL A1515 11.170 5.622 -1.972 1.00 15.02 C ATOM 141 CG2 VAL A1515 8.864 4.819 -2.547 1.00 12.92 C ATOM 142 H VAL A1515 9.288 3.703 -5.123 1.00 0.00 H ATOM 143 N THR A1516 12.606 4.418 -5.124 1.00 13.70 N ATOM 144 CA THR A1516 14.060 4.493 -5.370 1.00 13.61 C ATOM 145 C THR A1516 14.443 5.040 -6.709 1.00 16.01 C ATOM 146 O THR A1516 15.457 5.749 -6.804 1.00 17.32 O ATOM 147 CB THR A1516 14.718 3.124 -5.180 1.00 16.51 C ATOM 148 OG1 THR A1516 14.207 2.218 -6.158 1.00 16.23 O ATOM 149 CG2 THR A1516 14.531 2.572 -3.810 1.00 16.23 C ATOM 150 HG1 THR A1516 14.631 1.331 -6.038 1.00 0.00 H ATOM 151 H THR A1516 12.110 3.507 -5.199 1.00 0.00 H ATOM 152 N GLN A1517 13.705 4.692 -7.757 1.00 13.61 N ATOM 153 CA GLN A1517 14.085 5.073 -9.118 1.00 14.98 C ATOM 154 C GLN A1517 13.560 6.408 -9.540 1.00 15.98 C ATOM 155 O GLN A1517 14.150 7.048 -10.416 1.00 16.77 O ATOM 156 CB GLN A1517 13.623 4.012 -10.135 1.00 16.24 C ATOM 157 CG GLN A1517 14.111 2.596 -9.816 1.00 18.50 C ATOM 158 CD GLN A1517 15.614 2.495 -9.632 1.00 24.20 C ATOM 159 OE1 GLN A1517 16.400 2.747 -10.563 1.00 24.89 O ATOM 160 NE2 GLN A1517 16.042 2.148 -8.429 1.00 25.40 N ATOM 161 HE22 GLN A1517 15.358 1.944 -7.673 1.00 0.00 H ATOM 162 HE21 GLN A1517 17.062 2.079 -8.240 1.00 0.00 H ATOM 163 H GLN A1517 12.838 4.137 -7.607 1.00 0.00 H ATOM 164 N LYS A1518 12.435 6.839 -8.968 1.00 13.69 N ATOM 165 CA LYS A1518 11.808 8.081 -9.389 1.00 14.12 C ATOM 166 C LYS A1518 11.800 9.131 -8.316 1.00 15.29 C ATOM 167 O LYS A1518 12.314 10.227 -8.556 1.00 15.50 O ATOM 168 CB LYS A1518 10.377 7.822 -9.911 1.00 15.49 C ATOM 169 CG LYS A1518 10.246 6.726 -10.975 1.00 18.53 C ATOM 170 CD LYS A1518 10.995 7.012 -12.247 1.00 21.29 C ATOM 171 CE LYS A1518 10.726 5.912 -13.246 1.00 30.20 C ATOM 172 NZ LYS A1518 11.473 6.153 -14.507 1.00 37.87 N ATOM 173 HZ1 LYS A1518 11.174 7.061 -14.917 1.00 0.00 H ATOM 174 HZ2 LYS A1518 12.493 6.182 -14.304 1.00 0.00 H ATOM 175 HZ3 LYS A1518 11.273 5.385 -15.179 1.00 0.00 H ATOM 176 H LYS A1518 11.999 6.278 -8.209 1.00 0.00 H ATOM 177 N MET A1519 11.238 8.839 -7.145 1.00 13.60 N ATOM 178 CA MET A1519 11.122 9.870 -6.108 1.00 12.53 C ATOM 179 C MET A1519 12.474 10.301 -5.539 1.00 13.95 C ATOM 180 O MET A1519 12.765 11.497 -5.405 1.00 14.31 O ATOM 181 CB MET A1519 10.199 9.378 -4.999 1.00 13.18 C ATOM 182 CG MET A1519 8.767 9.166 -5.512 1.00 13.16 C ATOM 183 SD MET A1519 7.721 8.212 -4.416 1.00 14.57 S ATOM 184 CE MET A1519 7.379 9.379 -3.249 1.00 15.10 C ATOM 185 H MET A1519 10.881 7.879 -6.965 1.00 0.00 H ATOM 186 N MET A1520 13.353 9.319 -5.262 1.00 13.22 N ATOM 187 CA MET A1520 14.674 9.638 -4.724 1.00 13.39 C ATOM 188 C MET A1520 15.589 10.270 -5.749 1.00 14.36 C ATOM 189 O MET A1520 16.589 10.894 -5.359 1.00 15.69 O ATOM 190 CB MET A1520 15.318 8.406 -4.080 1.00 15.86 C ATOM 191 CG MET A1520 14.664 8.075 -2.766 1.00 17.68 C ATOM 192 SD MET A1520 15.323 6.562 -2.072 1.00 21.47 S ATOM 193 CE MET A1520 14.575 6.507 -0.513 1.00 20.40 C ATOM 194 H MET A1520 13.090 8.327 -5.432 1.00 0.00 H ATOM 195 N ALA A1521 15.271 10.121 -7.050 1.00 13.70 N ATOM 196 CA ALA A1521 16.041 10.669 -8.159 1.00 14.93 C ATOM 197 C ALA A1521 15.630 12.109 -8.477 1.00 16.56 C ATOM 198 O ALA A1521 16.284 12.774 -9.287 1.00 16.64 O ATOM 199 CB ALA A1521 15.891 9.769 -9.396 1.00 16.22 C ATOM 200 H ALA A1521 14.415 9.576 -7.279 1.00 0.00 H ATOM 201 N VAL A1522 14.580 12.655 -7.833 1.00 13.84 N ATOM 202 CA VAL A1522 14.232 14.068 -8.064 1.00 12.90 C ATOM 203 C VAL A1522 15.474 14.890 -7.669 1.00 13.83 C ATOM 204 O VAL A1522 16.043 14.703 -6.574 1.00 13.35 O ATOM 205 CB VAL A1522 13.001 14.474 -7.206 1.00 13.43 C ATOM 206 CG1 VAL A1522 12.832 15.991 -7.120 1.00 13.98 C ATOM 207 CG2 VAL A1522 11.732 13.816 -7.758 1.00 14.02 C ATOM 208 H VAL A1522 14.016 12.080 -7.174 1.00 0.00 H ATOM 209 N PRO A1523 15.907 15.831 -8.504 1.00 12.75 N ATOM 210 CA PRO A1523 17.096 16.604 -8.130 1.00 12.51 C ATOM 211 C PRO A1523 16.955 17.318 -6.802 1.00 12.44 C ATOM 212 O PRO A1523 15.915 17.888 -6.487 1.00 12.85 O ATOM 213 CB PRO A1523 17.273 17.582 -9.301 1.00 14.50 C ATOM 214 CG PRO A1523 16.656 16.848 -10.484 1.00 17.45 C ATOM 215 CD PRO A1523 15.445 16.161 -9.877 1.00 14.20 C ATOM 216 N ASP A1524 18.002 17.254 -5.979 1.00 11.96 N ATOM 217 CA ASP A1524 18.068 17.977 -4.711 1.00 12.84 C ATOM 218 C ASP A1524 17.023 17.495 -3.710 1.00 11.57 C ATOM 219 O ASP A1524 16.603 18.262 -2.835 1.00 12.23 O ATOM 220 CB ASP A1524 18.034 19.499 -4.933 1.00 13.90 C ATOM 221 CG ASP A1524 19.126 19.977 -5.869 1.00 17.45 C ATOM 222 OD1 ASP A1524 20.263 19.485 -5.752 1.00 16.85 O ATOM 223 OD2 ASP A1524 18.806 20.762 -6.793 1.00 25.67 O ATOM 224 H ASP A1524 18.811 16.661 -6.253 1.00 0.00 H ATOM 225 N SER A1525 16.573 16.237 -3.846 1.00 11.82 N ATOM 226 CA SER A1525 15.585 15.660 -2.923 1.00 11.53 C ATOM 227 C SER A1525 16.200 15.107 -1.648 1.00 11.38 C ATOM 228 O SER A1525 15.446 14.622 -0.801 1.00 11.90 O ATOM 229 CB SER A1525 14.749 14.602 -3.624 1.00 12.17 C ATOM 230 OG SER A1525 15.561 13.573 -4.164 1.00 12.93 O ATOM 231 HG SER A1525 16.191 13.962 -4.821 1.00 0.00 H ATOM 232 H SER A1525 16.934 15.654 -4.628 1.00 0.00 H ATOM 233 N TRP A1526 17.542 15.187 -1.476 1.00 10.84 N ATOM 234 CA TRP A1526 18.229 14.706 -0.262 1.00 11.23 C ATOM 235 C TRP A1526 17.568 15.115 1.056 1.00 11.85 C ATOM 236 O TRP A1526 17.664 14.311 2.003 1.00 11.69 O ATOM 237 CB TRP A1526 19.721 15.121 -0.249 1.00 11.77 C ATOM 238 CG TRP A1526 19.967 16.602 -0.224 1.00 11.51 C ATOM 239 CD1 TRP A1526 20.096 17.421 -1.319 1.00 12.83 C ATOM 240 CD2 TRP A1526 19.904 17.471 0.923 1.00 11.71 C ATOM 241 NE1 TRP A1526 20.140 18.732 -0.925 1.00 12.90 N ATOM 242 CE2 TRP A1526 20.018 18.796 0.448 1.00 12.80 C ATOM 243 CE3 TRP A1526 19.745 17.258 2.309 1.00 12.12 C ATOM 244 CZ2 TRP A1526 19.925 19.903 1.301 1.00 13.25 C ATOM 245 CZ3 TRP A1526 19.695 18.353 3.151 1.00 13.27 C ATOM 246 CH2 TRP A1526 19.771 19.660 2.642 1.00 14.15 C ATOM 247 HE1 TRP A1526 20.248 19.549 -1.559 1.00 0.00 H ATOM 248 H TRP A1526 18.115 15.607 -2.236 1.00 0.00 H ATOM 249 N PRO A1527 16.912 16.290 1.241 1.00 10.02 N ATOM 250 CA PRO A1527 16.344 16.580 2.573 1.00 10.34 C ATOM 251 C PRO A1527 15.305 15.567 3.000 1.00 10.91 C ATOM 252 O PRO A1527 15.052 15.418 4.189 1.00 11.10 O ATOM 253 CB PRO A1527 15.688 17.953 2.389 1.00 10.87 C ATOM 254 CG PRO A1527 16.438 18.588 1.226 1.00 11.53 C ATOM 255 CD PRO A1527 16.692 17.422 0.310 1.00 10.82 C ATOM 256 N PHE A1528 14.676 14.866 2.029 1.00 10.09 N ATOM 257 CA PHE A1528 13.544 13.968 2.278 1.00 10.33 C ATOM 258 C PHE A1528 13.957 12.512 2.285 1.00 11.68 C ATOM 259 O PHE A1528 13.086 11.654 2.483 1.00 11.82 O ATOM 260 CB PHE A1528 12.488 14.216 1.187 1.00 12.03 C ATOM 261 CG PHE A1528 12.070 15.655 1.156 1.00 11.07 C ATOM 262 CD1 PHE A1528 11.185 16.156 2.103 1.00 12.47 C ATOM 263 CD2 PHE A1528 12.578 16.528 0.197 1.00 11.97 C ATOM 264 CE1 PHE A1528 10.830 17.491 2.107 1.00 12.90 C ATOM 265 CE2 PHE A1528 12.197 17.866 0.187 1.00 12.73 C ATOM 266 CZ PHE A1528 11.334 18.339 1.145 1.00 11.81 C ATOM 267 H PHE A1528 15.014 14.970 1.051 1.00 0.00 H ATOM 268 N HIS A1529 15.238 12.206 2.086 1.00 10.88 N ATOM 269 CA HIS A1529 15.669 10.813 1.973 1.00 11.42 C ATOM 270 C HIS A1529 15.711 10.050 3.265 1.00 12.86 C ATOM 271 O HIS A1529 15.753 8.815 3.221 1.00 14.11 O ATOM 272 CB HIS A1529 17.030 10.691 1.289 1.00 12.07 C ATOM 273 CG HIS A1529 17.041 11.075 -0.172 1.00 12.51 C ATOM 274 ND1 HIS A1529 18.234 11.059 -0.894 1.00 15.04 N ATOM 275 CD2 HIS A1529 16.065 11.574 -0.969 1.00 13.06 C ATOM 276 CE1 HIS A1529 17.917 11.469 -2.112 1.00 14.29 C ATOM 277 NE2 HIS A1529 16.626 11.747 -2.224 1.00 13.57 N ATOM 278 H HIS A1529 15.941 12.968 2.010 1.00 0.00 H ATOM 279 N HIS A1530 15.803 10.723 4.418 1.00 11.57 N ATOM 280 CA HIS A1530 16.001 10.086 5.732 1.00 10.68 C ATOM 281 C HIS A1530 15.259 10.919 6.765 1.00 11.95 C ATOM 282 O HIS A1530 15.020 12.119 6.530 1.00 12.10 O ATOM 283 CB HIS A1530 17.527 10.087 6.089 1.00 12.11 C ATOM 284 CG HIS A1530 18.386 9.361 5.110 1.00 13.50 C ATOM 285 ND1 HIS A1530 18.377 7.969 5.022 1.00 15.40 N ATOM 286 CD2 HIS A1530 19.209 9.852 4.143 1.00 14.09 C ATOM 287 CE1 HIS A1530 19.224 7.653 4.040 1.00 16.25 C ATOM 288 NE2 HIS A1530 19.749 8.748 3.479 1.00 15.59 N ATOM 289 H HIS A1530 15.730 11.760 4.385 1.00 0.00 H ATOM 290 N PRO A1531 14.953 10.341 7.939 1.00 11.57 N ATOM 291 CA PRO A1531 14.338 11.161 9.004 1.00 11.90 C ATOM 292 C PRO A1531 15.253 12.293 9.440 1.00 11.93 C ATOM 293 O PRO A1531 16.476 12.143 9.511 1.00 12.18 O ATOM 294 CB PRO A1531 14.120 10.181 10.170 1.00 13.77 C ATOM 295 CG PRO A1531 14.760 8.905 9.782 1.00 17.58 C ATOM 296 CD PRO A1531 15.190 8.933 8.344 1.00 12.39 C ATOM 297 N VAL A1532 14.637 13.413 9.821 1.00 12.09 N ATOM 298 CA VAL A1532 15.388 14.573 10.306 1.00 11.83 C ATOM 299 C VAL A1532 16.093 14.234 11.610 1.00 12.86 C ATOM 300 O VAL A1532 15.503 13.615 12.509 1.00 12.22 O ATOM 301 CB VAL A1532 14.424 15.755 10.534 1.00 12.13 C ATOM 302 CG1 VAL A1532 15.144 16.955 11.167 1.00 12.62 C ATOM 303 CG2 VAL A1532 13.771 16.168 9.229 1.00 12.72 C ATOM 304 H VAL A1532 13.599 13.464 9.773 1.00 0.00 H ATOM 305 N ASN A1533 17.354 14.635 11.719 1.00 12.45 N ATOM 306 CA ASN A1533 18.103 14.496 12.949 1.00 13.09 C ATOM 307 C ASN A1533 17.983 15.824 13.699 1.00 13.69 C ATOM 308 O ASN A1533 18.402 16.861 13.168 1.00 12.66 O ATOM 309 CB ASN A1533 19.562 14.209 12.585 1.00 13.75 C ATOM 310 CG ASN A1533 20.462 13.893 13.738 1.00 16.79 C ATOM 311 OD1 ASN A1533 20.237 14.317 14.880 1.00 16.08 O ATOM 312 ND2 ASN A1533 21.540 13.164 13.434 1.00 21.80 N ATOM 313 HD22 ASN A1533 21.685 12.831 12.459 1.00 0.00 H ATOM 314 HD21 ASN A1533 22.234 12.930 14.172 1.00 0.00 H ATOM 315 H ASN A1533 17.819 15.063 10.893 1.00 0.00 H ATOM 316 N LYS A1534 17.449 15.807 14.925 1.00 14.31 N ATOM 317 CA LYS A1534 17.315 17.045 15.700 1.00 14.94 C ATOM 318 C LYS A1534 18.660 17.729 15.975 1.00 16.93 C ATOM 319 O LYS A1534 18.671 18.929 16.241 1.00 18.77 O ATOM 320 CB LYS A1534 16.546 16.783 17.012 1.00 17.10 C ATOM 321 CG LYS A1534 17.239 15.800 17.934 1.00 20.21 C ATOM 322 CD LYS A1534 17.630 16.511 19.223 1.00 27.10 C ATOM 323 CE LYS A1534 18.028 15.536 20.293 1.00 32.38 C ATOM 324 NZ LYS A1534 18.113 16.211 21.621 1.00 33.54 N ATOM 325 HZ1 LYS A1534 18.823 16.970 21.578 1.00 0.00 H ATOM 326 HZ2 LYS A1534 17.186 16.615 21.863 1.00 0.00 H ATOM 327 HZ3 LYS A1534 18.390 15.517 22.344 1.00 0.00 H ATOM 328 H LYS A1534 17.125 14.907 15.333 1.00 0.00 H ATOM 329 N LYS A1535 19.793 17.004 15.876 1.00 15.39 N ATOM 330 CA LYS A1535 21.107 17.621 16.040 1.00 16.50 C ATOM 331 C LYS A1535 21.428 18.523 14.845 1.00 18.06 C ATOM 332 O LYS A1535 22.282 19.408 14.958 1.00 19.90 O ATOM 333 CB LYS A1535 22.197 16.555 16.194 1.00 19.78 C ATOM 334 CG LYS A1535 22.049 15.750 17.486 1.00 28.71 C ATOM 335 CD LYS A1535 23.231 14.823 17.718 1.00 35.70 C ATOM 336 CE LYS A1535 23.017 13.911 18.912 1.00 49.21 C ATOM 337 NZ LYS A1535 22.954 14.656 20.203 1.00 60.01 N ATOM 338 HZ1 LYS A1535 23.847 15.169 20.350 1.00 0.00 H ATOM 339 HZ2 LYS A1535 22.165 15.333 20.173 1.00 0.00 H ATOM 340 HZ3 LYS A1535 22.807 13.984 20.983 1.00 0.00 H ATOM 341 H LYS A1535 19.730 15.985 15.679 1.00 0.00 H ATOM 342 N PHE A1536 20.734 18.347 13.715 1.00 13.81 N ATOM 343 CA PHE A1536 20.938 19.127 12.494 1.00 13.32 C ATOM 344 C PHE A1536 19.846 20.151 12.234 1.00 15.06 C ATOM 345 O PHE A1536 20.084 21.119 11.490 1.00 15.72 O ATOM 346 CB PHE A1536 21.076 18.178 11.300 1.00 13.37 C ATOM 347 CG PHE A1536 22.164 17.119 11.396 1.00 12.61 C ATOM 348 CD1 PHE A1536 23.265 17.287 12.237 1.00 14.48 C ATOM 349 CD2 PHE A1536 22.127 16.000 10.586 1.00 12.91 C ATOM 350 CE1 PHE A1536 24.270 16.310 12.312 1.00 16.01 C ATOM 351 CE2 PHE A1536 23.125 15.029 10.656 1.00 15.29 C ATOM 352 CZ PHE A1536 24.199 15.203 11.498 1.00 15.46 C ATOM 353 H PHE A1536 20.002 17.608 13.704 1.00 0.00 H ATOM 354 N VAL A1537 18.618 19.896 12.737 1.00 13.29 N ATOM 355 CA VAL A1537 17.472 20.810 12.538 1.00 12.96 C ATOM 356 C VAL A1537 16.783 20.894 13.920 1.00 14.25 C ATOM 357 O VAL A1537 15.833 20.146 14.213 1.00 13.32 O ATOM 358 CB VAL A1537 16.499 20.355 11.437 1.00 14.16 C ATOM 359 CG1 VAL A1537 15.476 21.459 11.184 1.00 14.57 C ATOM 360 CG2 VAL A1537 17.225 19.980 10.123 1.00 14.80 C ATOM 361 H VAL A1537 18.473 19.024 13.285 1.00 0.00 H ATOM 362 N PRO A1538 17.306 21.761 14.811 1.00 15.89 N ATOM 363 CA PRO A1538 16.874 21.737 16.220 1.00 15.96 C ATOM 364 C PRO A1538 15.387 21.856 16.505 1.00 15.05 C ATOM 365 O PRO A1538 14.904 21.208 17.436 1.00 15.47 O ATOM 366 CB PRO A1538 17.629 22.921 16.839 1.00 18.95 C ATOM 367 CG PRO A1538 18.878 23.032 15.987 1.00 21.44 C ATOM 368 CD PRO A1538 18.483 22.640 14.604 1.00 16.82 C ATOM 369 N ASP A1539 14.684 22.654 15.710 1.00 14.37 N ATOM 370 CA ASP A1539 13.264 22.912 15.988 1.00 13.68 C ATOM 371 C ASP A1539 12.305 22.014 15.260 1.00 14.17 C ATOM 372 O ASP A1539 11.096 22.155 15.440 1.00 14.31 O ATOM 373 CB ASP A1539 12.922 24.384 15.684 1.00 17.00 C ATOM 374 CG ASP A1539 13.636 25.372 16.565 1.00 21.39 C ATOM 375 OD1 ASP A1539 14.084 24.977 17.663 1.00 21.75 O ATOM 376 OD2 ASP A1539 13.789 26.539 16.140 1.00 24.72 O ATOM 377 H ASP A1539 15.140 23.098 14.887 1.00 0.00 H ATOM 378 N TYR A1540 12.813 21.064 14.464 1.00 12.76 N ATOM 379 CA TYR A1540 11.929 20.311 13.584 1.00 12.59 C ATOM 380 C TYR A1540 10.754 19.629 14.278 1.00 12.70 C ATOM 381 O TYR A1540 9.600 19.779 13.869 1.00 12.51 O ATOM 382 CB TYR A1540 12.728 19.290 12.751 1.00 12.74 C ATOM 383 CG TYR A1540 11.911 18.730 11.620 1.00 11.59 C ATOM 384 CD1 TYR A1540 11.670 19.481 10.477 1.00 12.25 C ATOM 385 CD2 TYR A1540 11.300 17.478 11.721 1.00 11.83 C ATOM 386 CE1 TYR A1540 10.922 18.970 9.429 1.00 12.16 C ATOM 387 CE2 TYR A1540 10.500 16.980 10.696 1.00 11.92 C ATOM 388 CZ TYR A1540 10.307 17.743 9.557 1.00 11.37 C ATOM 389 OH TYR A1540 9.573 17.263 8.502 1.00 11.91 O ATOM 390 HH TYR A1540 9.545 17.944 7.784 1.00 0.00 H ATOM 391 H TYR A1540 13.834 20.865 14.474 1.00 0.00 H ATOM 392 N TYR A1541 11.047 18.854 15.323 1.00 12.56 N ATOM 393 CA TYR A1541 10.042 18.046 16.004 1.00 13.07 C ATOM 394 C TYR A1541 9.207 18.867 16.993 1.00 15.29 C ATOM 395 O TYR A1541 8.203 18.350 17.504 1.00 15.88 O ATOM 396 CB TYR A1541 10.708 16.827 16.645 1.00 13.03 C ATOM 397 CG TYR A1541 11.300 15.880 15.615 1.00 12.73 C ATOM 398 CD1 TYR A1541 10.513 14.921 14.982 1.00 14.18 C ATOM 399 CD2 TYR A1541 12.646 15.961 15.254 1.00 12.67 C ATOM 400 CE1 TYR A1541 11.043 14.087 13.993 1.00 14.27 C ATOM 401 CE2 TYR A1541 13.200 15.103 14.294 1.00 12.21 C ATOM 402 CZ TYR A1541 12.398 14.152 13.687 1.00 13.03 C ATOM 403 OH TYR A1541 12.884 13.334 12.697 1.00 13.27 O ATOM 404 HH TYR A1541 13.640 12.802 13.052 1.00 0.00 H ATOM 405 H TYR A1541 12.029 18.825 15.665 1.00 0.00 H ATOM 406 N LYS A1542 9.574 20.139 17.206 1.00 13.31 N ATOM 407 CA LYS A1542 8.754 21.063 17.976 1.00 14.62 C ATOM 408 C LYS A1542 7.551 21.493 17.119 1.00 17.29 C ATOM 409 O LYS A1542 6.534 21.933 17.673 1.00 19.17 O ATOM 410 CB LYS A1542 9.551 22.306 18.370 1.00 15.48 C ATOM 411 CG LYS A1542 10.776 21.994 19.199 1.00 15.95 C ATOM 412 CD LYS A1542 11.514 23.257 19.591 1.00 16.87 C ATOM 413 CE LYS A1542 12.870 22.917 20.182 1.00 18.81 C ATOM 414 NZ LYS A1542 13.592 24.143 20.626 1.00 26.15 N ATOM 415 HZ1 LYS A1542 13.735 24.774 19.812 1.00 0.00 H ATOM 416 HZ2 LYS A1542 13.029 24.632 21.350 1.00 0.00 H ATOM 417 HZ3 LYS A1542 14.514 23.875 21.025 1.00 0.00 H ATOM 418 H LYS A1542 10.474 20.476 16.808 1.00 0.00 H ATOM 419 N VAL A1543 7.666 21.397 15.777 1.00 13.90 N ATOM 420 CA VAL A1543 6.647 21.848 14.842 1.00 13.82 C ATOM 421 C VAL A1543 5.945 20.660 14.181 1.00 15.86 C ATOM 422 O VAL A1543 4.709 20.672 14.011 1.00 16.59 O ATOM 423 CB VAL A1543 7.295 22.777 13.792 1.00 15.66 C ATOM 424 CG1 VAL A1543 6.302 23.177 12.687 1.00 16.42 C ATOM 425 CG2 VAL A1543 7.909 24.018 14.439 1.00 16.42 C ATOM 426 H VAL A1543 8.534 20.976 15.389 1.00 0.00 H ATOM 427 N ILE A1544 6.715 19.647 13.762 1.00 14.18 N ATOM 428 CA ILE A1544 6.186 18.503 13.030 1.00 13.68 C ATOM 429 C ILE A1544 5.873 17.353 13.964 1.00 15.32 C ATOM 430 O ILE A1544 6.802 16.711 14.475 1.00 16.29 O ATOM 431 CB ILE A1544 7.169 18.113 11.896 1.00 13.40 C ATOM 432 CG1 ILE A1544 7.340 19.258 10.861 1.00 13.22 C ATOM 433 CG2 ILE A1544 6.749 16.815 11.194 1.00 13.83 C ATOM 434 CD1 ILE A1544 6.031 19.820 10.265 1.00 13.06 C ATOM 435 H ILE A1544 7.734 19.678 13.968 1.00 0.00 H ATOM 436 N VAL A1545 4.579 17.087 14.157 1.00 15.45 N ATOM 437 CA VAL A1545 4.176 16.041 15.101 1.00 16.49 C ATOM 438 C VAL A1545 4.018 14.668 14.463 1.00 17.86 C ATOM 439 O VAL A1545 4.027 13.663 15.184 1.00 18.50 O ATOM 440 CB VAL A1545 2.905 16.440 15.895 1.00 21.91 C ATOM 441 CG1 VAL A1545 3.136 17.710 16.702 1.00 22.39 C ATOM 442 CG2 VAL A1545 1.704 16.591 14.975 1.00 22.15 C ATOM 443 H VAL A1545 3.856 17.623 13.636 1.00 0.00 H ATOM 444 N ASN A1546 3.853 14.589 13.121 1.00 15.18 N ATOM 445 CA ASN A1546 3.726 13.308 12.409 1.00 14.52 C ATOM 446 C ASN A1546 4.771 13.256 11.298 1.00 15.74 C ATOM 447 O ASN A1546 4.454 13.470 10.120 1.00 14.90 O ATOM 448 CB ASN A1546 2.306 13.092 11.870 1.00 16.90 C ATOM 449 CG ASN A1546 1.280 12.963 12.953 1.00 22.99 C ATOM 450 OD1 ASN A1546 0.327 13.748 13.029 1.00 25.69 O ATOM 451 ND2 ASN A1546 1.474 11.993 13.829 1.00 17.93 N ATOM 452 HD22 ASN A1546 2.289 11.355 13.727 1.00 0.00 H ATOM 453 HD21 ASN A1546 0.811 11.867 14.621 1.00 0.00 H ATOM 454 H ASN A1546 3.814 15.471 12.571 1.00 0.00 H ATOM 455 N PRO A1547 6.041 13.040 11.673 1.00 13.97 N ATOM 456 CA PRO A1547 7.132 13.058 10.670 1.00 13.42 C ATOM 457 C PRO A1547 7.062 11.948 9.654 1.00 14.20 C ATOM 458 O PRO A1547 6.458 10.900 9.891 1.00 15.58 O ATOM 459 CB PRO A1547 8.399 12.950 11.520 1.00 14.47 C ATOM 460 CG PRO A1547 7.921 12.221 12.764 1.00 18.25 C ATOM 461 CD PRO A1547 6.567 12.783 13.033 1.00 15.57 C ATOM 462 N MET A1548 7.652 12.182 8.492 1.00 11.98 N ATOM 463 CA MET A1548 7.720 11.169 7.445 1.00 11.74 C ATOM 464 C MET A1548 8.894 11.420 6.533 1.00 12.12 C ATOM 465 O MET A1548 9.291 12.565 6.345 1.00 12.26 O ATOM 466 CB MET A1548 6.389 11.110 6.676 1.00 12.61 C ATOM 467 CG MET A1548 6.249 9.930 5.673 1.00 12.84 C ATOM 468 SD MET A1548 6.624 8.284 6.337 1.00 13.51 S ATOM 469 CE MET A1548 5.492 8.192 7.799 1.00 14.19 C ATOM 470 H MET A1548 8.079 13.115 8.321 1.00 0.00 H ATOM 471 N ASP A1549 9.448 10.373 5.914 1.00 10.98 N ATOM 472 CA ASP A1549 10.572 10.543 4.983 1.00 10.91 C ATOM 473 C ASP A1549 10.570 9.318 4.055 1.00 11.91 C ATOM 474 O ASP A1549 9.873 8.322 4.325 1.00 11.77 O ATOM 475 CB ASP A1549 11.885 10.695 5.746 1.00 12.29 C ATOM 476 CG ASP A1549 12.204 9.428 6.476 1.00 12.99 C ATOM 477 OD1 ASP A1549 11.695 9.260 7.611 1.00 13.93 O ATOM 478 OD2 ASP A1549 12.861 8.539 5.864 1.00 12.66 O ATOM 479 H ASP A1549 9.076 9.419 6.095 1.00 0.00 H ATOM 480 N LEU A1550 11.379 9.357 3.014 1.00 11.23 N ATOM 481 CA LEU A1550 11.398 8.277 2.038 1.00 11.59 C ATOM 482 C LEU A1550 12.008 6.980 2.565 1.00 11.87 C ATOM 483 O LEU A1550 11.568 5.893 2.113 1.00 13.03 O ATOM 484 CB LEU A1550 12.059 8.737 0.750 1.00 12.78 C ATOM 485 CG LEU A1550 11.387 9.935 0.029 1.00 13.75 C ATOM 486 CD1 LEU A1550 12.161 10.336 -1.184 1.00 15.74 C ATOM 487 CD2 LEU A1550 9.948 9.626 -0.386 1.00 15.14 C ATOM 488 H LEU A1550 12.013 10.172 2.888 1.00 0.00 H ATOM 489 N GLU A1551 13.000 7.037 3.461 1.00 12.32 N ATOM 490 CA GLU A1551 13.549 5.817 4.060 1.00 12.61 C ATOM 491 C GLU A1551 12.472 5.116 4.883 1.00 12.47 C ATOM 492 O GLU A1551 12.305 3.881 4.775 1.00 13.27 O ATOM 493 CB GLU A1551 14.764 6.137 4.913 1.00 13.77 C ATOM 494 CG GLU A1551 15.354 4.925 5.622 1.00 15.32 C ATOM 495 CD GLU A1551 16.538 5.178 6.536 1.00 20.64 C ATOM 496 OE1 GLU A1551 17.016 4.200 7.158 1.00 27.16 O ATOM 497 OE2 GLU A1551 16.988 6.337 6.654 1.00 17.28 O ATOM 498 H GLU A1551 13.388 7.962 3.737 1.00 0.00 H ATOM 499 N THR A1552 11.717 5.889 5.671 1.00 11.92 N ATOM 500 CA THR A1552 10.630 5.305 6.461 1.00 11.94 C ATOM 501 C THR A1552 9.587 4.663 5.525 1.00 12.36 C ATOM 502 O THR A1552 9.081 3.578 5.819 1.00 12.44 O ATOM 503 CB THR A1552 10.029 6.360 7.399 1.00 13.05 C ATOM 504 OG1 THR A1552 11.074 6.814 8.292 1.00 13.73 O ATOM 505 CG2 THR A1552 8.872 5.817 8.232 1.00 13.88 C ATOM 506 HG1 THR A1552 11.811 7.208 7.762 1.00 0.00 H ATOM 507 H THR A1552 11.903 6.911 5.723 1.00 0.00 H ATOM 508 N ILE A1553 9.218 5.343 4.431 1.00 12.48 N ATOM 509 CA ILE A1553 8.270 4.736 3.480 1.00 11.32 C ATOM 510 C ILE A1553 8.836 3.425 2.919 1.00 12.84 C ATOM 511 O ILE A1553 8.104 2.427 2.866 1.00 12.85 O ATOM 512 CB ILE A1553 7.911 5.741 2.367 1.00 12.42 C ATOM 513 CG1 ILE A1553 7.065 6.880 2.969 1.00 12.39 C ATOM 514 CG2 ILE A1553 7.155 5.020 1.192 1.00 13.84 C ATOM 515 CD1 ILE A1553 6.645 8.010 1.989 1.00 13.68 C ATOM 516 H ILE A1553 9.599 6.294 4.254 1.00 0.00 H ATOM 517 N ARG A1554 10.116 3.366 2.588 1.00 12.40 N ATOM 518 CA ARG A1554 10.698 2.103 2.120 1.00 13.03 C ATOM 519 C ARG A1554 10.660 1.015 3.193 1.00 13.69 C ATOM 520 O ARG A1554 10.348 -0.144 2.866 1.00 14.27 O ATOM 521 CB ARG A1554 12.136 2.314 1.691 1.00 14.38 C ATOM 522 CG ARG A1554 12.255 3.096 0.418 1.00 15.19 C ATOM 523 CD ARG A1554 13.625 2.943 -0.211 1.00 18.72 C ATOM 524 NE ARG A1554 13.792 1.595 -0.737 1.00 18.38 N ATOM 525 CZ ARG A1554 14.945 0.948 -0.848 1.00 26.70 C ATOM 526 NH1 ARG A1554 16.074 1.510 -0.429 1.00 24.57 N ATOM 527 NH2 ARG A1554 14.980 -0.262 -1.389 1.00 20.90 N ATOM 528 HE ARG A1554 12.935 1.098 -1.052 1.00 0.00 H ATOM 529 HH12 ARG A1554 16.975 0.998 -0.519 1.00 0.00 H ATOM 530 HH11 ARG A1554 16.057 2.462 -0.011 1.00 0.00 H ATOM 531 HH22 ARG A1554 15.885 -0.767 -1.475 1.00 0.00 H ATOM 532 HH21 ARG A1554 14.102 -0.706 -1.727 1.00 0.00 H ATOM 533 H ARG A1554 10.710 4.216 2.660 1.00 0.00 H ATOM 534 N LYS A1555 10.883 1.355 4.466 1.00 13.52 N ATOM 535 CA LYS A1555 10.822 0.348 5.538 1.00 14.53 C ATOM 536 C LYS A1555 9.384 -0.137 5.624 1.00 15.77 C ATOM 537 O LYS A1555 9.136 -1.346 5.765 1.00 16.68 O ATOM 538 CB LYS A1555 11.254 0.972 6.872 1.00 17.31 C ATOM 539 CG LYS A1555 12.750 1.167 7.014 1.00 30.48 C ATOM 540 CD LYS A1555 13.123 1.762 8.368 1.00 42.83 C ATOM 541 CE LYS A1555 14.616 1.921 8.516 1.00 53.30 C ATOM 542 NZ LYS A1555 15.003 2.231 9.918 1.00 61.38 N ATOM 543 HZ1 LYS A1555 14.549 3.119 10.213 1.00 0.00 H ATOM 544 HZ2 LYS A1555 14.693 1.458 10.541 1.00 0.00 H ATOM 545 HZ3 LYS A1555 16.036 2.332 9.977 1.00 0.00 H ATOM 546 H LYS A1555 11.102 2.344 4.702 1.00 0.00 H ATOM 547 N ASN A1556 8.408 0.778 5.528 1.00 13.82 N ATOM 548 CA ASN A1556 6.992 0.405 5.530 1.00 13.84 C ATOM 549 C ASN A1556 6.657 -0.530 4.365 1.00 15.65 C ATOM 550 O ASN A1556 5.939 -1.531 4.573 1.00 15.99 O ATOM 551 CB ASN A1556 6.081 1.645 5.488 1.00 13.85 C ATOM 552 CG ASN A1556 6.138 2.447 6.751 1.00 16.35 C ATOM 553 OD1 ASN A1556 6.599 1.954 7.803 1.00 17.31 O ATOM 554 ND2 ASN A1556 5.634 3.687 6.712 1.00 15.37 N ATOM 555 HD22 ASN A1556 5.258 4.068 5.820 1.00 0.00 H ATOM 556 HD21 ASN A1556 5.619 4.269 7.574 1.00 0.00 H ATOM 557 H ASN A1556 8.665 1.783 5.450 1.00 0.00 H ATOM 558 N ILE A1557 7.154 -0.256 3.155 1.00 13.81 N ATOM 559 CA ILE A1557 6.923 -1.146 2.001 1.00 13.79 C ATOM 560 C ILE A1557 7.523 -2.534 2.252 1.00 17.54 C ATOM 561 O ILE A1557 6.891 -3.558 1.903 1.00 18.48 O ATOM 562 CB ILE A1557 7.498 -0.520 0.712 1.00 14.47 C ATOM 563 CG1 ILE A1557 6.760 0.750 0.321 1.00 13.69 C ATOM 564 CG2 ILE A1557 7.454 -1.526 -0.456 1.00 16.42 C ATOM 565 CD1 ILE A1557 7.555 1.576 -0.750 1.00 15.02 C ATOM 566 H ILE A1557 7.719 0.607 3.023 1.00 0.00 H ATOM 567 N SER A1558 8.715 -2.587 2.849 1.00 16.31 N ATOM 568 CA SER A1558 9.400 -3.858 3.102 1.00 17.17 C ATOM 569 C SER A1558 8.613 -4.708 4.097 1.00 21.33 C ATOM 570 O SER A1558 8.734 -5.944 4.057 1.00 22.73 O ATOM 571 CB SER A1558 10.814 -3.605 3.599 1.00 20.41 C ATOM 572 OG SER A1558 10.870 -3.278 4.972 1.00 23.34 O ATOM 573 HG SER A1558 10.343 -2.456 5.136 1.00 0.00 H ATOM 574 H SER A1558 9.172 -1.700 3.144 1.00 0.00 H ATOM 575 N LYS A1559 7.842 -4.086 4.980 1.00 17.00 N ATOM 576 CA LYS A1559 6.982 -4.745 5.981 1.00 18.37 C ATOM 577 C LYS A1559 5.556 -4.963 5.428 1.00 20.94 C ATOM 578 O LYS A1559 4.662 -5.398 6.168 1.00 22.70 O ATOM 579 CB LYS A1559 6.930 -3.899 7.271 1.00 21.17 C ATOM 580 CG LYS A1559 8.256 -3.816 8.031 1.00 27.01 C ATOM 581 CD LYS A1559 8.194 -2.739 9.113 1.00 38.99 C ATOM 582 CE LYS A1559 9.270 -2.881 10.165 1.00 58.58 C ATOM 583 NZ LYS A1559 10.604 -2.436 9.674 1.00 71.39 N ATOM 584 HZ1 LYS A1559 10.879 -3.011 8.852 1.00 0.00 H ATOM 585 HZ2 LYS A1559 10.554 -1.435 9.397 1.00 0.00 H ATOM 586 HZ3 LYS A1559 11.307 -2.553 10.431 1.00 0.00 H ATOM 587 H LYS A1559 7.844 -3.046 4.965 1.00 0.00 H ATOM 588 N HIS A1560 5.350 -4.671 4.126 1.00 17.81 N ATOM 589 CA HIS A1560 4.061 -4.819 3.470 1.00 17.78 C ATOM 590 C HIS A1560 2.955 -4.010 4.200 1.00 19.12 C ATOM 591 O HIS A1560 1.824 -4.486 4.360 1.00 20.70 O ATOM 592 CB HIS A1560 3.697 -6.318 3.257 1.00 19.61 C ATOM 593 CG HIS A1560 4.704 -7.122 2.477 1.00 23.36 C ATOM 594 ND1 HIS A1560 5.424 -6.581 1.417 1.00 25.94 N ATOM 595 CD2 HIS A1560 5.009 -8.437 2.570 1.00 25.92 C ATOM 596 CE1 HIS A1560 6.164 -7.575 0.938 1.00 25.90 C ATOM 597 NE2 HIS A1560 5.956 -8.703 1.607 1.00 26.65 N ATOM 598 H HIS A1560 6.153 -4.323 3.564 1.00 0.00 H ATOM 599 N LYS A1561 3.286 -2.784 4.677 1.00 16.63 N ATOM 600 CA LYS A1561 2.326 -1.932 5.358 1.00 16.90 C ATOM 601 C LYS A1561 1.169 -1.556 4.419 1.00 18.44 C ATOM 602 O LYS A1561 0.011 -1.467 4.831 1.00 19.78 O ATOM 603 CB LYS A1561 2.998 -0.638 5.900 1.00 19.15 C ATOM 604 CG LYS A1561 2.009 0.373 6.553 1.00 28.50 C ATOM 605 CD LYS A1561 2.604 1.758 6.942 1.00 24.46 C ATOM 606 CE LYS A1561 1.522 2.779 7.277 1.00 25.61 C ATOM 607 NZ LYS A1561 2.063 4.109 7.723 1.00 23.39 N ATOM 608 HZ1 LYS A1561 2.641 3.978 8.578 1.00 0.00 H ATOM 609 HZ2 LYS A1561 2.649 4.515 6.966 1.00 0.00 H ATOM 610 HZ3 LYS A1561 1.272 4.751 7.933 1.00 0.00 H ATOM 611 H LYS A1561 4.260 -2.442 4.551 1.00 0.00 H ATOM 612 N TYR A1562 1.498 -1.270 3.162 1.00 14.17 N ATOM 613 CA TYR A1562 0.531 -0.748 2.213 1.00 13.39 C ATOM 614 C TYR A1562 -0.096 -1.833 1.380 1.00 14.74 C ATOM 615 O TYR A1562 0.606 -2.596 0.700 1.00 15.36 O ATOM 616 CB TYR A1562 1.211 0.295 1.300 1.00 13.44 C ATOM 617 CG TYR A1562 2.032 1.339 2.023 1.00 12.35 C ATOM 618 CD1 TYR A1562 1.433 2.252 2.881 1.00 13.89 C ATOM 619 CD2 TYR A1562 3.399 1.427 1.835 1.00 13.35 C ATOM 620 CE1 TYR A1562 2.185 3.201 3.568 1.00 12.68 C ATOM 621 CE2 TYR A1562 4.170 2.362 2.526 1.00 13.28 C ATOM 622 CZ TYR A1562 3.553 3.276 3.358 1.00 12.39 C ATOM 623 OH TYR A1562 4.329 4.203 3.998 1.00 13.75 O ATOM 624 HH TYR A1562 3.754 4.785 4.555 1.00 0.00 H ATOM 625 H TYR A1562 2.478 -1.425 2.850 1.00 0.00 H ATOM 626 N GLN A1563 -1.444 -1.884 1.415 1.00 15.44 N ATOM 627 CA GLN A1563 -2.195 -2.810 0.557 1.00 15.64 C ATOM 628 C GLN A1563 -2.963 -2.050 -0.490 1.00 16.12 C ATOM 629 O GLN A1563 -3.707 -2.655 -1.268 1.00 16.71 O ATOM 630 CB GLN A1563 -3.196 -3.724 1.294 1.00 18.60 C ATOM 631 CG GLN A1563 -2.552 -4.922 1.940 1.00 25.27 C ATOM 632 CD GLN A1563 -1.867 -4.487 3.164 1.00 26.20 C ATOM 633 OE1 GLN A1563 -2.455 -3.826 4.034 1.00 28.22 O ATOM 634 NE2 GLN A1563 -0.589 -4.781 3.222 1.00 24.31 N ATOM 635 HE22 GLN A1563 -0.149 -5.339 2.463 1.00 0.00 H ATOM 636 HE21 GLN A1563 -0.017 -4.456 4.027 1.00 0.00 H ATOM 637 H GLN A1563 -1.961 -1.255 2.062 1.00 0.00 H ATOM 638 N SER A1564 -2.787 -0.719 -0.538 1.00 12.94 N ATOM 639 CA SER A1564 -3.478 0.105 -1.531 1.00 12.44 C ATOM 640 C SER A1564 -2.603 1.273 -1.900 1.00 12.53 C ATOM 641 O SER A1564 -1.794 1.763 -1.079 1.00 12.46 O ATOM 642 CB SER A1564 -4.827 0.618 -1.008 1.00 13.32 C ATOM 643 OG SER A1564 -4.636 1.542 0.052 1.00 14.18 O ATOM 644 HG SER A1564 -5.517 1.860 0.374 1.00 0.00 H ATOM 645 H SER A1564 -2.147 -0.265 0.144 1.00 0.00 H ATOM 646 N ARG A1565 -2.850 1.832 -3.097 1.00 11.43 N ATOM 647 CA ARG A1565 -2.213 3.069 -3.507 1.00 11.19 C ATOM 648 C ARG A1565 -2.628 4.211 -2.571 1.00 12.39 C ATOM 649 O ARG A1565 -1.787 5.043 -2.216 1.00 11.75 O ATOM 650 CB ARG A1565 -2.616 3.453 -4.939 1.00 11.77 C ATOM 651 CG ARG A1565 -1.931 2.604 -5.999 1.00 12.93 C ATOM 652 CD ARG A1565 -2.586 2.755 -7.361 1.00 12.87 C ATOM 653 NE ARG A1565 -3.882 2.072 -7.388 1.00 13.18 N ATOM 654 CZ ARG A1565 -4.610 1.938 -8.490 1.00 13.99 C ATOM 655 NH1 ARG A1565 -5.772 1.297 -8.455 1.00 14.23 N ATOM 656 NH2 ARG A1565 -4.165 2.411 -9.651 1.00 13.76 N ATOM 657 HE ARG A1565 -4.249 1.673 -6.501 1.00 0.00 H ATOM 658 HH12 ARG A1565 -6.337 1.196 -9.323 1.00 0.00 H ATOM 659 HH11 ARG A1565 -6.118 0.896 -7.560 1.00 0.00 H ATOM 660 HH22 ARG A1565 -4.740 2.303 -10.511 1.00 0.00 H ATOM 661 HH21 ARG A1565 -3.242 2.889 -9.699 1.00 0.00 H ATOM 662 H ARG A1565 -3.515 1.365 -3.746 1.00 0.00 H ATOM 663 N GLU A1566 -3.902 4.230 -2.126 1.00 11.83 N ATOM 664 CA GLU A1566 -4.342 5.324 -1.251 1.00 11.74 C ATOM 665 C GLU A1566 -3.516 5.360 0.045 1.00 12.05 C ATOM 666 O GLU A1566 -3.078 6.429 0.473 1.00 11.73 O ATOM 667 CB GLU A1566 -5.823 5.164 -0.949 1.00 12.00 C ATOM 668 CG GLU A1566 -6.374 6.308 -0.114 1.00 12.57 C ATOM 669 CD GLU A1566 -7.854 6.210 0.225 1.00 12.48 C ATOM 670 OE1 GLU A1566 -8.376 7.132 0.913 1.00 13.52 O ATOM 671 OE2 GLU A1566 -8.507 5.221 -0.158 1.00 13.95 O ATOM 672 H GLU A1566 -4.565 3.477 -2.400 1.00 0.00 H ATOM 673 N SER A1567 -3.264 4.189 0.673 1.00 11.09 N ATOM 674 CA SER A1567 -2.508 4.181 1.930 1.00 11.73 C ATOM 675 C SER A1567 -1.047 4.617 1.720 1.00 11.38 C ATOM 676 O SER A1567 -0.504 5.356 2.537 1.00 11.08 O ATOM 677 CB SER A1567 -2.581 2.819 2.606 1.00 13.89 C ATOM 678 OG SER A1567 -1.978 1.803 1.821 1.00 16.17 O ATOM 679 HG SER A1567 -2.443 1.741 0.949 1.00 0.00 H ATOM 680 H SER A1567 -3.606 3.295 0.265 1.00 0.00 H ATOM 681 N PHE A1568 -0.431 4.197 0.603 1.00 11.21 N ATOM 682 CA PHE A1568 0.927 4.615 0.281 1.00 10.66 C ATOM 683 C PHE A1568 0.958 6.143 0.071 1.00 11.58 C ATOM 684 O PHE A1568 1.802 6.866 0.627 1.00 11.13 O ATOM 685 CB PHE A1568 1.337 3.857 -0.978 1.00 12.31 C ATOM 686 CG PHE A1568 2.565 4.363 -1.683 1.00 10.96 C ATOM 687 CD1 PHE A1568 3.824 4.255 -1.097 1.00 12.22 C ATOM 688 CD2 PHE A1568 2.471 4.909 -2.942 1.00 12.48 C ATOM 689 CE1 PHE A1568 4.971 4.672 -1.787 1.00 12.58 C ATOM 690 CE2 PHE A1568 3.604 5.328 -3.631 1.00 13.53 C ATOM 691 CZ PHE A1568 4.850 5.218 -3.044 1.00 12.42 C ATOM 692 H PHE A1568 -0.934 3.559 -0.046 1.00 0.00 H ATOM 693 N LEU A1569 -0.026 6.648 -0.694 1.00 10.78 N ATOM 694 CA LEU A1569 -0.129 8.075 -1.005 1.00 10.85 C ATOM 695 C LEU A1569 -0.456 8.908 0.216 1.00 11.02 C ATOM 696 O LEU A1569 -0.093 10.086 0.254 1.00 11.25 O ATOM 697 CB LEU A1569 -1.106 8.336 -2.159 1.00 11.51 C ATOM 698 CG LEU A1569 -0.590 7.834 -3.509 1.00 11.83 C ATOM 699 CD1 LEU A1569 -1.714 7.912 -4.561 1.00 12.87 C ATOM 700 CD2 LEU A1569 0.663 8.607 -3.974 1.00 13.39 C ATOM 701 H LEU A1569 -0.742 6.000 -1.080 1.00 0.00 H ATOM 702 N ASP A1570 -1.049 8.317 1.265 1.00 10.56 N ATOM 703 CA ASP A1570 -1.250 9.080 2.507 1.00 10.67 C ATOM 704 C ASP A1570 0.130 9.473 3.082 1.00 11.83 C ATOM 705 O ASP A1570 0.332 10.609 3.514 1.00 11.94 O ATOM 706 CB ASP A1570 -2.001 8.250 3.554 1.00 12.43 C ATOM 707 CG ASP A1570 -3.452 7.976 3.251 1.00 12.15 C ATOM 708 OD1 ASP A1570 -4.071 8.761 2.477 1.00 12.24 O ATOM 709 OD2 ASP A1570 -3.995 6.998 3.819 1.00 14.88 O ATOM 710 H ASP A1570 -1.364 7.328 1.201 1.00 0.00 H ATOM 711 N ASP A1571 1.098 8.528 3.093 1.00 11.13 N ATOM 712 CA ASP A1571 2.436 8.831 3.638 1.00 10.75 C ATOM 713 C ASP A1571 3.216 9.751 2.719 1.00 11.64 C ATOM 714 O ASP A1571 3.932 10.632 3.179 1.00 12.65 O ATOM 715 CB ASP A1571 3.196 7.562 3.998 1.00 13.17 C ATOM 716 CG ASP A1571 2.755 6.968 5.325 1.00 13.76 C ATOM 717 OD1 ASP A1571 2.181 7.722 6.152 1.00 16.23 O ATOM 718 OD2 ASP A1571 3.032 5.768 5.569 1.00 15.00 O ATOM 719 H ASP A1571 0.898 7.580 2.714 1.00 0.00 H ATOM 720 N VAL A1572 3.043 9.586 1.392 1.00 11.35 N ATOM 721 CA VAL A1572 3.712 10.476 0.450 1.00 11.23 C ATOM 722 C VAL A1572 3.201 11.920 0.659 1.00 11.92 C ATOM 723 O VAL A1572 3.985 12.897 0.728 1.00 12.40 O ATOM 724 CB VAL A1572 3.504 9.980 -0.988 1.00 12.83 C ATOM 725 CG1 VAL A1572 4.039 10.977 -1.996 1.00 13.86 C ATOM 726 CG2 VAL A1572 4.142 8.603 -1.182 1.00 12.86 C ATOM 727 H VAL A1572 2.431 8.822 1.039 1.00 0.00 H ATOM 728 N ASN A1573 1.877 12.082 0.816 1.00 11.16 N ATOM 729 CA ASN A1573 1.298 13.394 1.050 1.00 11.26 C ATOM 730 C ASN A1573 1.709 14.013 2.376 1.00 12.94 C ATOM 731 O ASN A1573 1.814 15.235 2.453 1.00 12.64 O ATOM 732 CB ASN A1573 -0.233 13.367 0.907 1.00 11.78 C ATOM 733 CG ASN A1573 -0.598 13.632 -0.519 1.00 11.49 C ATOM 734 OD1 ASN A1573 -0.713 14.807 -0.912 1.00 12.25 O ATOM 735 ND2 ASN A1573 -0.733 12.585 -1.340 1.00 11.53 N ATOM 736 HD22 ASN A1573 -0.629 11.618 -0.971 1.00 0.00 H ATOM 737 HD21 ASN A1573 -0.942 12.738 -2.347 1.00 0.00 H ATOM 738 H ASN A1573 1.253 11.251 0.769 1.00 0.00 H ATOM 739 N LEU A1574 1.946 13.187 3.404 1.00 12.68 N ATOM 740 CA LEU A1574 2.373 13.688 4.690 1.00 13.33 C ATOM 741 C LEU A1574 3.714 14.389 4.519 1.00 12.86 C ATOM 742 O LEU A1574 3.937 15.437 5.184 1.00 12.96 O ATOM 743 CB LEU A1574 2.426 12.507 5.658 1.00 14.19 C ATOM 744 CG LEU A1574 2.861 12.759 7.082 1.00 15.23 C ATOM 745 CD1 LEU A1574 2.024 13.863 7.753 1.00 15.47 C ATOM 746 CD2 LEU A1574 2.800 11.472 7.859 1.00 15.60 C ATOM 747 H LEU A1574 1.820 12.163 3.273 1.00 0.00 H ATOM 748 N ILE A1575 4.603 13.922 3.620 1.00 11.88 N ATOM 749 CA ILE A1575 5.872 14.619 3.402 1.00 11.36 C ATOM 750 C ILE A1575 5.593 16.042 2.875 1.00 12.89 C ATOM 751 O ILE A1575 6.185 17.027 3.364 1.00 13.55 O ATOM 752 CB ILE A1575 6.752 13.815 2.429 1.00 12.73 C ATOM 753 CG1 ILE A1575 7.154 12.482 3.093 1.00 12.93 C ATOM 754 CG2 ILE A1575 7.988 14.644 2.048 1.00 14.15 C ATOM 755 CD1 ILE A1575 7.974 11.510 2.204 1.00 15.37 C ATOM 756 H ILE A1575 4.386 13.061 3.078 1.00 0.00 H ATOM 757 N LEU A1576 4.721 16.175 1.877 1.00 12.08 N ATOM 758 CA LEU A1576 4.407 17.485 1.312 1.00 11.61 C ATOM 759 C LEU A1576 3.772 18.381 2.388 1.00 12.59 C ATOM 760 O LEU A1576 4.198 19.535 2.581 1.00 12.08 O ATOM 761 CB LEU A1576 3.490 17.332 0.089 1.00 12.29 C ATOM 762 CG LEU A1576 2.989 18.610 -0.539 1.00 12.66 C ATOM 763 CD1 LEU A1576 4.163 19.488 -1.059 1.00 15.30 C ATOM 764 CD2 LEU A1576 2.019 18.296 -1.655 1.00 14.88 C ATOM 765 H LEU A1576 4.254 15.329 1.492 1.00 0.00 H ATOM 766 N ALA A1577 2.791 17.846 3.128 1.00 11.62 N ATOM 767 CA ALA A1577 2.087 18.649 4.134 1.00 11.45 C ATOM 768 C ALA A1577 3.042 19.110 5.233 1.00 12.78 C ATOM 769 O ALA A1577 2.968 20.262 5.687 1.00 12.02 O ATOM 770 CB ALA A1577 0.929 17.863 4.718 1.00 13.01 C ATOM 771 H ALA A1577 2.526 16.850 2.988 1.00 0.00 H ATOM 772 N ASN A1578 3.976 18.234 5.632 1.00 11.54 N ATOM 773 CA ASN A1578 4.959 18.630 6.635 1.00 10.80 C ATOM 774 C ASN A1578 5.873 19.744 6.128 1.00 11.21 C ATOM 775 O ASN A1578 6.195 20.676 6.896 1.00 11.76 O ATOM 776 CB ASN A1578 5.791 17.446 7.123 1.00 11.16 C ATOM 777 CG ASN A1578 5.013 16.498 8.005 1.00 11.83 C ATOM 778 OD1 ASN A1578 4.029 16.888 8.659 1.00 13.09 O ATOM 779 ND2 ASN A1578 5.501 15.283 8.110 1.00 12.05 N ATOM 780 HD22 ASN A1578 6.326 15.003 7.542 1.00 0.00 H ATOM 781 HD21 ASN A1578 5.062 14.601 8.761 1.00 0.00 H ATOM 782 H ASN A1578 4.000 17.276 5.228 1.00 0.00 H ATOM 783 N SER A1579 6.281 19.685 4.845 1.00 10.68 N ATOM 784 CA SER A1579 7.119 20.774 4.337 1.00 11.35 C ATOM 785 C SER A1579 6.317 22.095 4.276 1.00 12.19 C ATOM 786 O SER A1579 6.868 23.162 4.595 1.00 12.41 O ATOM 787 CB SER A1579 7.650 20.425 2.955 1.00 12.69 C ATOM 788 OG SER A1579 8.570 21.409 2.510 1.00 12.45 O ATOM 789 HG SER A1579 8.116 22.288 2.467 1.00 0.00 H ATOM 790 H SER A1579 6.009 18.889 4.233 1.00 0.00 H ATOM 791 N VAL A1580 5.040 22.051 3.885 1.00 12.15 N ATOM 792 CA VAL A1580 4.240 23.277 3.875 1.00 11.95 C ATOM 793 C VAL A1580 4.209 23.867 5.293 1.00 14.14 C ATOM 794 O VAL A1580 4.419 25.060 5.437 1.00 15.29 O ATOM 795 CB VAL A1580 2.826 22.967 3.359 1.00 14.36 C ATOM 796 CG1 VAL A1580 1.872 24.147 3.599 1.00 15.63 C ATOM 797 CG2 VAL A1580 2.852 22.586 1.879 1.00 14.05 C ATOM 798 H VAL A1580 4.616 21.149 3.589 1.00 0.00 H ATOM 799 N LYS A1581 4.012 23.038 6.325 1.00 13.17 N ATOM 800 CA LYS A1581 3.957 23.506 7.704 1.00 13.90 C ATOM 801 C LYS A1581 5.298 24.035 8.193 1.00 14.63 C ATOM 802 O LYS A1581 5.363 25.076 8.856 1.00 16.11 O ATOM 803 CB LYS A1581 3.503 22.344 8.628 1.00 15.36 C ATOM 804 CG LYS A1581 2.013 22.107 8.720 1.00 22.71 C ATOM 805 CD LYS A1581 1.728 20.877 9.597 1.00 26.66 C ATOM 806 CE LYS A1581 0.268 20.479 9.543 1.00 28.44 C ATOM 807 NZ LYS A1581 -0.102 19.940 8.209 1.00 21.82 N ATOM 808 HZ1 LYS A1581 0.068 20.666 7.484 1.00 0.00 H ATOM 809 HZ2 LYS A1581 0.476 19.100 8.003 1.00 0.00 H ATOM 810 HZ3 LYS A1581 -1.108 19.678 8.209 1.00 0.00 H ATOM 811 H LYS A1581 3.894 22.022 6.136 1.00 0.00 H ATOM 812 N TYR A1582 6.373 23.301 7.959 1.00 13.02 N ATOM 813 CA TYR A1582 7.657 23.699 8.514 1.00 12.46 C ATOM 814 C TYR A1582 8.366 24.802 7.751 1.00 13.16 C ATOM 815 O TYR A1582 8.978 25.705 8.357 1.00 14.00 O ATOM 816 CB TYR A1582 8.605 22.477 8.631 1.00 12.36 C ATOM 817 CG TYR A1582 9.780 22.766 9.535 1.00 12.91 C ATOM 818 CD1 TYR A1582 9.617 22.839 10.914 1.00 15.17 C ATOM 819 CD2 TYR A1582 11.043 23.021 9.013 1.00 15.01 C ATOM 820 CE1 TYR A1582 10.663 23.212 11.744 1.00 15.27 C ATOM 821 CE2 TYR A1582 12.120 23.357 9.847 1.00 15.15 C ATOM 822 CZ TYR A1582 11.910 23.447 11.210 1.00 16.84 C ATOM 823 OH TYR A1582 12.918 23.773 12.096 1.00 18.95 O ATOM 824 HH TYR A1582 13.276 24.668 11.872 1.00 0.00 H ATOM 825 H TYR A1582 6.300 22.441 7.379 1.00 0.00 H ATOM 826 N ASN A1583 8.300 24.735 6.426 1.00 12.49 N ATOM 827 CA ASN A1583 9.050 25.632 5.547 1.00 11.72 C ATOM 828 C ASN A1583 8.201 26.725 4.895 1.00 14.25 C ATOM 829 O ASN A1583 8.762 27.741 4.449 1.00 15.69 O ATOM 830 CB ASN A1583 9.720 24.786 4.452 1.00 13.05 C ATOM 831 CG ASN A1583 10.622 23.733 5.031 1.00 11.47 C ATOM 832 OD1 ASN A1583 11.522 24.046 5.832 1.00 12.58 O ATOM 833 ND2 ASN A1583 10.377 22.482 4.696 1.00 11.69 N ATOM 834 HD22 ASN A1583 9.615 22.264 4.023 1.00 0.00 H ATOM 835 HD21 ASN A1583 10.946 21.713 5.105 1.00 0.00 H ATOM 836 H ASN A1583 7.688 24.013 5.995 1.00 0.00 H ATOM 837 N GLY A1584 6.887 26.509 4.811 1.00 14.18 N ATOM 838 CA GLY A1584 6.004 27.441 4.123 1.00 14.66 C ATOM 839 C GLY A1584 5.696 26.940 2.727 1.00 15.99 C ATOM 840 O GLY A1584 6.458 26.158 2.143 1.00 15.47 O ATOM 841 H GLY A1584 6.484 25.655 5.247 1.00 0.00 H ATOM 842 N PRO A1585 4.544 27.341 2.165 1.00 16.42 N ATOM 843 CA PRO A1585 4.112 26.828 0.854 1.00 17.01 C ATOM 844 C PRO A1585 4.995 27.239 -0.324 1.00 18.19 C ATOM 845 O PRO A1585 4.950 26.584 -1.379 1.00 19.13 O ATOM 846 CB PRO A1585 2.689 27.404 0.710 1.00 18.73 C ATOM 847 CG PRO A1585 2.684 28.625 1.559 1.00 22.81 C ATOM 848 CD PRO A1585 3.519 28.226 2.755 1.00 17.95 C ATOM 849 N GLU A1586 5.787 28.306 -0.156 1.00 17.21 N ATOM 850 CA GLU A1586 6.631 28.840 -1.225 1.00 17.89 C ATOM 851 C GLU A1586 8.106 28.474 -1.098 1.00 19.18 C ATOM 852 O GLU A1586 8.891 28.813 -1.970 1.00 19.22 O ATOM 853 CB GLU A1586 6.467 30.378 -1.355 1.00 20.13 C ATOM 854 CG GLU A1586 5.089 30.854 -1.809 1.00 31.35 C ATOM 855 CD GLU A1586 4.529 30.182 -3.047 1.00 49.01 C ATOM 856 OE1 GLU A1586 5.189 30.240 -4.109 1.00 51.78 O ATOM 857 OE2 GLU A1586 3.430 29.591 -2.951 1.00 53.77 O ATOM 858 H GLU A1586 5.803 28.774 0.773 1.00 0.00 H ATOM 859 N SER A1587 8.497 27.783 -0.023 1.00 16.17 N ATOM 860 CA SER A1587 9.903 27.439 0.163 1.00 14.88 C ATOM 861 C SER A1587 10.430 26.490 -0.928 1.00 14.53 C ATOM 862 O SER A1587 9.681 25.626 -1.421 1.00 14.03 O ATOM 863 CB SER A1587 10.068 26.724 1.510 1.00 15.30 C ATOM 864 OG SER A1587 11.343 26.112 1.696 1.00 15.33 O ATOM 865 HG SER A1587 12.050 26.803 1.645 1.00 0.00 H ATOM 866 H SER A1587 7.795 27.489 0.685 1.00 0.00 H ATOM 867 N GLN A1588 11.740 26.593 -1.244 1.00 14.47 N ATOM 868 CA GLN A1588 12.347 25.652 -2.179 1.00 14.23 C ATOM 869 C GLN A1588 12.209 24.187 -1.659 1.00 13.73 C ATOM 870 O GLN A1588 12.092 23.256 -2.465 1.00 13.70 O ATOM 871 CB GLN A1588 13.814 26.007 -2.461 1.00 16.58 C ATOM 872 CG GLN A1588 14.425 25.135 -3.561 1.00 18.61 C ATOM 873 CD GLN A1588 13.687 25.289 -4.888 1.00 21.88 C ATOM 874 OE1 GLN A1588 13.253 26.386 -5.269 1.00 23.10 O ATOM 875 NE2 GLN A1588 13.485 24.193 -5.600 1.00 22.10 N ATOM 876 HE22 GLN A1588 13.856 23.280 -5.266 1.00 0.00 H ATOM 877 HE21 GLN A1588 12.955 24.244 -6.494 1.00 0.00 H ATOM 878 H GLN A1588 12.318 27.346 -0.819 1.00 0.00 H ATOM 879 N TYR A1589 12.211 23.976 -0.321 1.00 12.94 N ATOM 880 CA TYR A1589 12.005 22.610 0.206 1.00 12.27 C ATOM 881 C TYR A1589 10.619 22.103 -0.220 1.00 12.73 C ATOM 882 O TYR A1589 10.480 20.941 -0.618 1.00 11.91 O ATOM 883 CB TYR A1589 12.050 22.583 1.735 1.00 12.05 C ATOM 884 CG TYR A1589 13.425 22.713 2.345 1.00 11.29 C ATOM 885 CD1 TYR A1589 14.364 21.688 2.234 1.00 12.42 C ATOM 886 CD2 TYR A1589 13.781 23.844 3.080 1.00 11.88 C ATOM 887 CE1 TYR A1589 15.614 21.779 2.849 1.00 12.47 C ATOM 888 CE2 TYR A1589 15.031 23.951 3.685 1.00 12.56 C ATOM 889 CZ TYR A1589 15.946 22.910 3.571 1.00 11.98 C ATOM 890 OH TYR A1589 17.213 23.029 4.116 1.00 12.66 O ATOM 891 HH TYR A1589 17.139 23.173 5.093 1.00 0.00 H ATOM 892 H TYR A1589 12.357 24.771 0.333 1.00 0.00 H ATOM 893 N THR A1590 9.600 22.978 -0.172 1.00 12.24 N ATOM 894 CA THR A1590 8.239 22.586 -0.549 1.00 11.40 C ATOM 895 C THR A1590 8.134 22.370 -2.054 1.00 12.93 C ATOM 896 O THR A1590 7.442 21.448 -2.491 1.00 12.23 O ATOM 897 CB THR A1590 7.243 23.624 -0.033 1.00 12.97 C ATOM 898 OG1 THR A1590 7.381 23.665 1.393 1.00 13.42 O ATOM 899 CG2 THR A1590 5.798 23.310 -0.408 1.00 14.49 C ATOM 900 HG1 THR A1590 6.749 24.329 1.766 1.00 0.00 H ATOM 901 H THR A1590 9.781 23.954 0.139 1.00 0.00 H ATOM 902 N LYS A1591 8.821 23.212 -2.856 1.00 12.38 N ATOM 903 CA LYS A1591 8.821 22.980 -4.306 1.00 12.80 C ATOM 904 C LYS A1591 9.432 21.626 -4.643 1.00 12.71 C ATOM 905 O LYS A1591 8.927 20.903 -5.502 1.00 12.67 O ATOM 906 CB LYS A1591 9.577 24.084 -5.034 1.00 14.96 C ATOM 907 CG LYS A1591 8.896 25.431 -4.851 1.00 17.80 C ATOM 908 CD LYS A1591 9.625 26.549 -5.589 1.00 21.23 C ATOM 909 CE LYS A1591 9.059 27.915 -5.242 1.00 26.69 C ATOM 910 NZ LYS A1591 7.627 28.039 -5.607 1.00 35.73 N ATOM 911 HZ1 LYS A1591 7.518 27.895 -6.631 1.00 0.00 H ATOM 912 HZ2 LYS A1591 7.076 27.321 -5.094 1.00 0.00 H ATOM 913 HZ3 LYS A1591 7.286 28.988 -5.351 1.00 0.00 H ATOM 914 H LYS A1591 9.344 24.015 -2.452 1.00 0.00 H ATOM 915 N THR A1592 10.470 21.222 -3.907 1.00 12.36 N ATOM 916 CA THR A1592 11.092 19.919 -4.100 1.00 11.98 C ATOM 917 C THR A1592 10.139 18.790 -3.649 1.00 12.19 C ATOM 918 O THR A1592 9.974 17.795 -4.373 1.00 11.92 O ATOM 919 CB THR A1592 12.417 19.834 -3.321 1.00 13.07 C ATOM 920 OG1 THR A1592 13.253 20.897 -3.743 1.00 15.35 O ATOM 921 CG2 THR A1592 13.153 18.527 -3.538 1.00 13.40 C ATOM 922 HG1 THR A1592 12.806 21.761 -3.558 1.00 0.00 H ATOM 923 H THR A1592 10.846 21.857 -3.174 1.00 0.00 H ATOM 924 N ALA A1593 9.492 18.962 -2.487 1.00 11.22 N ATOM 925 CA ALA A1593 8.519 17.958 -2.023 1.00 10.98 C ATOM 926 C ALA A1593 7.377 17.826 -3.049 1.00 11.89 C ATOM 927 O ALA A1593 6.910 16.706 -3.315 1.00 11.45 O ATOM 928 CB ALA A1593 7.942 18.370 -0.686 1.00 12.19 C ATOM 929 H ALA A1593 9.678 19.808 -1.911 1.00 0.00 H ATOM 930 N GLN A1594 6.922 18.940 -3.647 1.00 11.41 N ATOM 931 CA GLN A1594 5.846 18.870 -4.646 1.00 11.79 C ATOM 932 C GLN A1594 6.303 18.055 -5.856 1.00 12.91 C ATOM 933 O GLN A1594 5.517 17.298 -6.417 1.00 12.68 O ATOM 934 CB GLN A1594 5.419 20.283 -5.073 1.00 12.69 C ATOM 935 CG GLN A1594 4.206 20.257 -5.996 1.00 14.24 C ATOM 936 CD GLN A1594 2.944 19.878 -5.260 1.00 13.37 C ATOM 937 OE1 GLN A1594 2.507 20.577 -4.341 1.00 15.45 O ATOM 938 NE2 GLN A1594 2.356 18.738 -5.617 1.00 14.59 N ATOM 939 HE22 GLN A1594 2.749 18.172 -6.396 1.00 0.00 H ATOM 940 HE21 GLN A1594 1.504 18.414 -5.117 1.00 0.00 H ATOM 941 H GLN A1594 7.336 19.862 -3.400 1.00 0.00 H ATOM 942 N GLU A1595 7.563 18.209 -6.266 1.00 12.29 N ATOM 943 CA GLU A1595 8.104 17.426 -7.389 1.00 12.49 C ATOM 944 C GLU A1595 8.144 15.940 -7.037 1.00 12.85 C ATOM 945 O GLU A1595 7.830 15.103 -7.870 1.00 13.81 O ATOM 946 CB GLU A1595 9.526 17.913 -7.709 1.00 14.20 C ATOM 947 CG GLU A1595 9.552 19.235 -8.461 1.00 19.45 C ATOM 948 CD GLU A1595 10.817 20.067 -8.341 1.00 37.41 C ATOM 949 OE1 GLU A1595 10.815 21.201 -8.876 1.00 35.91 O ATOM 950 OE2 GLU A1595 11.798 19.608 -7.708 1.00 25.39 O ATOM 951 H GLU A1595 8.176 18.896 -5.782 1.00 0.00 H ATOM 952 N ILE A1596 8.476 15.585 -5.790 1.00 12.07 N ATOM 953 CA ILE A1596 8.474 14.189 -5.346 1.00 11.80 C ATOM 954 C ILE A1596 7.056 13.609 -5.440 1.00 12.45 C ATOM 955 O ILE A1596 6.862 12.512 -5.963 1.00 11.98 O ATOM 956 CB ILE A1596 9.033 14.104 -3.904 1.00 12.40 C ATOM 957 CG1 ILE A1596 10.542 14.452 -3.861 1.00 12.83 C ATOM 958 CG2 ILE A1596 8.769 12.719 -3.287 1.00 13.42 C ATOM 959 CD1 ILE A1596 11.075 14.615 -2.459 1.00 14.23 C ATOM 960 H ILE A1596 8.745 16.327 -5.112 1.00 0.00 H ATOM 961 N VAL A1597 6.057 14.358 -4.939 1.00 11.88 N ATOM 962 CA VAL A1597 4.672 13.883 -4.983 1.00 11.40 C ATOM 963 C VAL A1597 4.213 13.721 -6.434 1.00 12.62 C ATOM 964 O VAL A1597 3.596 12.714 -6.788 1.00 12.66 O ATOM 965 CB VAL A1597 3.789 14.887 -4.200 1.00 13.81 C ATOM 966 CG1 VAL A1597 2.294 14.614 -4.435 1.00 15.26 C ATOM 967 CG2 VAL A1597 4.109 14.822 -2.712 1.00 13.61 C ATOM 968 H VAL A1597 6.270 15.284 -4.516 1.00 0.00 H ATOM 969 N ASN A1598 4.520 14.697 -7.280 1.00 12.84 N ATOM 970 CA ASN A1598 4.031 14.644 -8.667 1.00 12.68 C ATOM 971 C ASN A1598 4.661 13.516 -9.449 1.00 13.69 C ATOM 972 O ASN A1598 3.962 12.855 -10.207 1.00 13.03 O ATOM 973 CB ASN A1598 4.218 16.007 -9.350 1.00 15.12 C ATOM 974 CG ASN A1598 3.297 17.102 -8.806 1.00 17.35 C ATOM 975 OD1 ASN A1598 2.372 16.867 -8.039 1.00 21.28 O ATOM 976 ND2 ASN A1598 3.560 18.325 -9.215 1.00 21.07 N ATOM 977 HD22 ASN A1598 4.352 18.496 -9.867 1.00 0.00 H ATOM 978 HD21 ASN A1598 2.976 19.120 -8.886 1.00 0.00 H ATOM 979 H ASN A1598 5.104 15.497 -6.963 1.00 0.00 H ATOM 980 N VAL A1599 5.962 13.241 -9.228 1.00 12.33 N ATOM 981 CA VAL A1599 6.573 12.131 -9.948 1.00 12.32 C ATOM 982 C VAL A1599 5.993 10.819 -9.437 1.00 12.51 C ATOM 983 O VAL A1599 5.847 9.861 -10.199 1.00 13.00 O ATOM 984 CB VAL A1599 8.121 12.175 -9.976 1.00 15.69 C ATOM 985 CG1 VAL A1599 8.746 11.576 -8.720 1.00 16.33 C ATOM 986 CG2 VAL A1599 8.645 11.460 -11.218 1.00 15.47 C ATOM 987 H VAL A1599 6.518 13.809 -8.558 1.00 0.00 H ATOM 988 N CYS A1600 5.620 10.775 -8.148 1.00 11.99 N ATOM 989 CA CYS A1600 4.984 9.594 -7.582 1.00 11.87 C ATOM 990 C CYS A1600 3.646 9.348 -8.311 1.00 11.54 C ATOM 991 O CYS A1600 3.413 8.250 -8.846 1.00 12.49 O ATOM 992 CB CYS A1600 4.784 9.788 -6.084 1.00 11.99 C ATOM 993 SG CYS A1600 4.068 8.355 -5.274 1.00 13.40 S ATOM 994 H CYS A1600 5.789 11.602 -7.541 1.00 0.00 H ATOM 995 N TYR A1601 2.773 10.372 -8.376 1.00 11.39 N ATOM 996 CA TYR A1601 1.485 10.191 -9.076 1.00 11.60 C ATOM 997 C TYR A1601 1.683 9.796 -10.549 1.00 12.50 C ATOM 998 O TYR A1601 0.995 8.891 -11.052 1.00 13.02 O ATOM 999 CB TYR A1601 0.669 11.484 -9.076 1.00 12.45 C ATOM 1000 CG TYR A1601 0.177 11.982 -7.732 1.00 11.72 C ATOM 1001 CD1 TYR A1601 -0.360 11.108 -6.791 1.00 12.41 C ATOM 1002 CD2 TYR A1601 0.136 13.339 -7.450 1.00 12.60 C ATOM 1003 CE1 TYR A1601 -0.891 11.582 -5.588 1.00 11.97 C ATOM 1004 CE2 TYR A1601 -0.404 13.818 -6.263 1.00 12.39 C ATOM 1005 CZ TYR A1601 -0.903 12.936 -5.331 1.00 12.36 C ATOM 1006 OH TYR A1601 -1.435 13.393 -4.154 1.00 12.32 O ATOM 1007 HH TYR A1601 -0.744 13.897 -3.654 1.00 0.00 H ATOM 1008 H TYR A1601 3.005 11.285 -7.936 1.00 0.00 H ATOM 1009 N GLN A1602 2.637 10.441 -11.226 1.00 13.12 N ATOM 1010 CA GLN A1602 2.855 10.146 -12.641 1.00 14.09 C ATOM 1011 C GLN A1602 3.345 8.727 -12.868 1.00 14.95 C ATOM 1012 O GLN A1602 2.850 8.026 -13.766 1.00 15.25 O ATOM 1013 CB GLN A1602 3.860 11.151 -13.207 1.00 16.35 C ATOM 1014 CG GLN A1602 3.946 11.093 -14.744 1.00 25.41 C ATOM 1015 CD GLN A1602 2.755 11.752 -15.425 1.00 58.17 C ATOM 1016 OE1 GLN A1602 2.694 12.975 -15.599 1.00 59.51 O ATOM 1017 NE2 GLN A1602 1.776 10.960 -15.832 1.00 54.91 N ATOM 1018 HE22 GLN A1602 1.840 9.933 -15.679 1.00 0.00 H ATOM 1019 HE21 GLN A1602 0.942 11.364 -16.305 1.00 0.00 H ATOM 1020 H GLN A1602 3.224 11.153 -10.747 1.00 0.00 H ATOM 1021 N THR A1603 4.266 8.263 -12.036 1.00 13.86 N ATOM 1022 CA THR A1603 4.808 6.916 -12.204 1.00 13.73 C ATOM 1023 C THR A1603 3.778 5.861 -11.870 1.00 14.43 C ATOM 1024 O THR A1603 3.682 4.858 -12.574 1.00 14.67 O ATOM 1025 CB THR A1603 6.102 6.722 -11.436 1.00 16.25 C ATOM 1026 OG1 THR A1603 7.001 7.814 -11.683 1.00 16.12 O ATOM 1027 CG2 THR A1603 6.803 5.426 -11.843 1.00 17.06 C ATOM 1028 HG1 THR A1603 7.204 7.860 -12.651 1.00 0.00 H ATOM 1029 H THR A1603 4.606 8.862 -11.257 1.00 0.00 H ATOM 1030 N LEU A1604 2.947 6.098 -10.834 1.00 13.00 N ATOM 1031 CA LEU A1604 1.896 5.153 -10.491 1.00 13.02 C ATOM 1032 C LEU A1604 0.947 4.928 -11.658 1.00 14.16 C ATOM 1033 O LEU A1604 0.454 3.813 -11.824 1.00 14.34 O ATOM 1034 CB LEU A1604 1.085 5.659 -9.287 1.00 13.19 C ATOM 1035 CG LEU A1604 1.763 5.447 -7.924 1.00 13.73 C ATOM 1036 CD1 LEU A1604 1.041 6.233 -6.860 1.00 14.65 C ATOM 1037 CD2 LEU A1604 1.763 3.960 -7.503 1.00 15.40 C ATOM 1038 H LEU A1604 3.059 6.967 -10.274 1.00 0.00 H ATOM 1039 N THR A1605 0.650 5.966 -12.453 1.00 14.78 N ATOM 1040 CA THR A1605 -0.280 5.830 -13.591 1.00 14.33 C ATOM 1041 C THR A1605 0.218 4.792 -14.595 1.00 15.78 C ATOM 1042 O THR A1605 -0.604 4.111 -15.197 1.00 15.91 O ATOM 1043 CB THR A1605 -0.497 7.181 -14.271 1.00 18.97 C ATOM 1044 OG1 THR A1605 -1.196 7.978 -13.324 1.00 20.29 O ATOM 1045 CG2 THR A1605 -1.313 7.094 -15.589 1.00 20.95 C ATOM 1046 HG1 THR A1605 -0.649 8.070 -12.504 1.00 0.00 H ATOM 1047 H THR A1605 1.086 6.891 -12.263 1.00 0.00 H ATOM 1048 N GLU A1606 1.559 4.605 -14.698 1.00 15.05 N ATOM 1049 CA GLU A1606 2.146 3.609 -15.613 1.00 15.97 C ATOM 1050 C GLU A1606 1.739 2.187 -15.253 1.00 18.18 C ATOM 1051 O GLU A1606 1.833 1.305 -16.104 1.00 20.03 O ATOM 1052 CB GLU A1606 3.678 3.681 -15.613 1.00 17.91 C ATOM 1053 CG GLU A1606 4.237 5.037 -16.010 1.00 20.96 C ATOM 1054 CD GLU A1606 5.735 5.197 -15.831 1.00 27.71 C ATOM 1055 OE1 GLU A1606 6.209 6.352 -15.904 1.00 29.37 O ATOM 1056 OE2 GLU A1606 6.427 4.187 -15.564 1.00 30.33 O ATOM 1057 H GLU A1606 2.193 5.184 -14.112 1.00 0.00 H ATOM 1058 N TYR A1607 1.246 1.970 -14.010 1.00 15.05 N ATOM 1059 CA TYR A1607 0.836 0.673 -13.480 1.00 15.02 C ATOM 1060 C TYR A1607 -0.617 0.654 -13.086 1.00 15.82 C ATOM 1061 O TYR A1607 -1.027 -0.218 -12.322 1.00 15.69 O ATOM 1062 CB TYR A1607 1.697 0.347 -12.240 1.00 16.28 C ATOM 1063 CG TYR A1607 3.173 0.352 -12.527 1.00 16.44 C ATOM 1064 CD1 TYR A1607 3.796 -0.760 -13.086 1.00 18.60 C ATOM 1065 CD2 TYR A1607 3.943 1.493 -12.307 1.00 17.19 C ATOM 1066 CE1 TYR A1607 5.151 -0.742 -13.414 1.00 22.93 C ATOM 1067 CE2 TYR A1607 5.299 1.529 -12.642 1.00 19.38 C ATOM 1068 CZ TYR A1607 5.894 0.407 -13.204 1.00 22.60 C ATOM 1069 OH TYR A1607 7.229 0.402 -13.548 1.00 28.75 O ATOM 1070 HH TYR A1607 7.467 -0.480 -13.931 1.00 0.00 H ATOM 1071 H TYR A1607 1.152 2.794 -13.383 1.00 0.00 H ATOM 1072 N ASP A1608 -1.444 1.556 -13.610 1.00 15.38 N ATOM 1073 CA ASP A1608 -2.836 1.672 -13.177 1.00 15.36 C ATOM 1074 C ASP A1608 -3.627 0.361 -13.225 1.00 16.75 C ATOM 1075 O ASP A1608 -4.194 -0.074 -12.206 1.00 16.49 O ATOM 1076 CB ASP A1608 -3.568 2.788 -13.964 1.00 17.36 C ATOM 1077 CG ASP A1608 -4.992 3.100 -13.519 1.00 18.38 C ATOM 1078 OD1 ASP A1608 -5.303 2.927 -12.311 1.00 18.65 O ATOM 1079 OD2 ASP A1608 -5.786 3.579 -14.360 1.00 21.16 O ATOM 1080 H ASP A1608 -1.090 2.197 -14.349 1.00 0.00 H ATOM 1081 N GLU A1609 -3.660 -0.288 -14.387 1.00 17.91 N ATOM 1082 CA GLU A1609 -4.435 -1.512 -14.532 1.00 18.11 C ATOM 1083 C GLU A1609 -3.926 -2.615 -13.605 1.00 16.89 C ATOM 1084 O GLU A1609 -4.732 -3.290 -12.952 1.00 18.14 O ATOM 1085 CB GLU A1609 -4.419 -1.968 -16.008 1.00 20.68 C ATOM 1086 CG GLU A1609 -5.177 -3.267 -16.284 1.00 27.02 C ATOM 1087 CD GLU A1609 -5.025 -3.768 -17.706 1.00 57.72 C ATOM 1088 OE1 GLU A1609 -5.966 -3.572 -18.508 1.00 58.20 O ATOM 1089 OE2 GLU A1609 -3.963 -4.352 -18.020 1.00 57.69 O ATOM 1090 H GLU A1609 -3.127 0.083 -15.199 1.00 0.00 H ATOM 1091 N HIS A1610 -2.621 -2.796 -13.538 1.00 16.26 N ATOM 1092 CA HIS A1610 -2.031 -3.850 -12.719 1.00 16.82 C ATOM 1093 C HIS A1610 -2.252 -3.606 -11.230 1.00 16.46 C ATOM 1094 O HIS A1610 -2.656 -4.517 -10.497 1.00 15.38 O ATOM 1095 CB HIS A1610 -0.552 -4.020 -13.058 1.00 18.26 C ATOM 1096 CG HIS A1610 0.053 -5.274 -12.521 1.00 21.09 C ATOM 1097 ND1 HIS A1610 1.424 -5.416 -12.408 1.00 24.02 N ATOM 1098 CD2 HIS A1610 -0.540 -6.411 -12.081 1.00 22.76 C ATOM 1099 CE1 HIS A1610 1.618 -6.632 -11.924 1.00 22.83 C ATOM 1100 NE2 HIS A1610 0.472 -7.263 -11.698 1.00 23.22 N ATOM 1101 H HIS A1610 -1.995 -2.170 -14.084 1.00 0.00 H ATOM 1102 N LEU A1611 -2.028 -2.372 -10.767 1.00 14.97 N ATOM 1103 CA LEU A1611 -2.259 -2.028 -9.363 1.00 14.32 C ATOM 1104 C LEU A1611 -3.730 -2.157 -8.977 1.00 15.23 C ATOM 1105 O LEU A1611 -4.044 -2.640 -7.878 1.00 14.47 O ATOM 1106 CB LEU A1611 -1.682 -0.659 -9.015 1.00 14.54 C ATOM 1107 CG LEU A1611 -0.151 -0.574 -9.053 1.00 15.31 C ATOM 1108 CD1 LEU A1611 0.309 0.857 -8.879 1.00 14.28 C ATOM 1109 CD2 LEU A1611 0.514 -1.441 -7.956 1.00 18.13 C ATOM 1110 H LEU A1611 -1.682 -1.640 -11.419 1.00 0.00 H ATOM 1111 N THR A1612 -4.657 -1.777 -9.867 1.00 15.13 N ATOM 1112 CA THR A1612 -6.088 -1.945 -9.604 1.00 15.59 C ATOM 1113 C THR A1612 -6.413 -3.422 -9.351 1.00 16.77 C ATOM 1114 O THR A1612 -7.086 -3.770 -8.368 1.00 16.39 O ATOM 1115 CB THR A1612 -6.923 -1.373 -10.767 1.00 18.20 C ATOM 1116 OG1 THR A1612 -6.632 0.026 -10.867 1.00 17.88 O ATOM 1117 CG2 THR A1612 -8.429 -1.564 -10.565 1.00 19.79 C ATOM 1118 HG1 THR A1612 -5.666 0.149 -11.044 1.00 0.00 H ATOM 1119 H THR A1612 -4.353 -1.352 -10.766 1.00 0.00 H ATOM 1120 N GLN A1613 -5.879 -4.304 -10.206 1.00 15.51 N ATOM 1121 CA GLN A1613 -6.121 -5.735 -10.064 1.00 16.29 C ATOM 1122 C GLN A1613 -5.451 -6.313 -8.814 1.00 15.35 C ATOM 1123 O GLN A1613 -6.093 -7.066 -8.075 1.00 15.51 O ATOM 1124 CB GLN A1613 -5.663 -6.460 -11.336 1.00 18.47 C ATOM 1125 CG GLN A1613 -6.014 -7.943 -11.351 1.00 21.57 C ATOM 1126 CD GLN A1613 -7.517 -8.176 -11.335 1.00 39.75 C ATOM 1127 OE1 GLN A1613 -8.280 -7.597 -12.126 1.00 38.94 O ATOM 1128 NE2 GLN A1613 -7.985 -9.025 -10.428 1.00 39.33 N ATOM 1129 HE22 GLN A1613 -7.331 -9.500 -9.774 1.00 0.00 H ATOM 1130 HE21 GLN A1613 -9.006 -9.215 -10.371 1.00 0.00 H ATOM 1131 H GLN A1613 -5.281 -3.962 -10.985 1.00 0.00 H ATOM 1132 N LEU A1614 -4.193 -5.914 -8.532 1.00 14.95 N ATOM 1133 CA LEU A1614 -3.488 -6.381 -7.341 1.00 15.02 C ATOM 1134 C LEU A1614 -4.223 -5.966 -6.075 1.00 14.80 C ATOM 1135 O LEU A1614 -4.403 -6.797 -5.173 1.00 14.61 O ATOM 1136 CB LEU A1614 -2.058 -5.850 -7.301 1.00 14.75 C ATOM 1137 CG LEU A1614 -1.083 -6.522 -8.267 1.00 16.04 C ATOM 1138 CD1 LEU A1614 0.206 -5.728 -8.346 1.00 16.18 C ATOM 1139 CD2 LEU A1614 -0.810 -8.002 -7.879 1.00 19.36 C ATOM 1140 H LEU A1614 -3.713 -5.257 -9.180 1.00 0.00 H ATOM 1141 N GLU A1615 -4.731 -4.725 -6.003 1.00 13.88 N ATOM 1142 CA GLU A1615 -5.454 -4.294 -4.798 1.00 13.45 C ATOM 1143 C GLU A1615 -6.707 -5.140 -4.574 1.00 14.72 C ATOM 1144 O GLU A1615 -7.016 -5.528 -3.451 1.00 14.38 O ATOM 1145 CB GLU A1615 -5.874 -2.816 -4.892 1.00 15.31 C ATOM 1146 CG GLU A1615 -4.690 -1.874 -4.749 1.00 14.64 C ATOM 1147 CD GLU A1615 -5.070 -0.407 -4.675 1.00 15.11 C ATOM 1148 OE1 GLU A1615 -6.154 -0.072 -4.138 1.00 16.89 O ATOM 1149 OE2 GLU A1615 -4.215 0.415 -5.073 1.00 14.99 O ATOM 1150 H GLU A1615 -4.613 -4.068 -6.801 1.00 0.00 H ATOM 1151 N LYS A1616 -7.439 -5.424 -5.665 1.00 15.08 N ATOM 1152 CA LYS A1616 -8.644 -6.241 -5.572 1.00 15.77 C ATOM 1153 C LYS A1616 -8.314 -7.654 -5.098 1.00 16.90 C ATOM 1154 O LYS A1616 -8.984 -8.186 -4.199 1.00 16.63 O ATOM 1155 CB LYS A1616 -9.292 -6.300 -6.957 1.00 18.77 C ATOM 1156 CG LYS A1616 -10.133 -5.078 -7.284 1.00 27.10 C ATOM 1157 CD LYS A1616 -10.617 -5.160 -8.721 1.00 29.99 C ATOM 1158 CE LYS A1616 -11.341 -3.913 -9.162 1.00 30.59 C ATOM 1159 NZ LYS A1616 -11.462 -3.872 -10.645 1.00 29.64 N ATOM 1160 HZ1 LYS A1616 -10.513 -3.878 -11.069 1.00 0.00 H ATOM 1161 HZ2 LYS A1616 -11.994 -4.704 -10.971 1.00 0.00 H ATOM 1162 HZ3 LYS A1616 -11.963 -3.006 -10.927 1.00 0.00 H ATOM 1163 H LYS A1616 -7.141 -5.055 -6.591 1.00 0.00 H ATOM 1164 N ASP A1617 -7.266 -8.262 -5.669 1.00 15.44 N ATOM 1165 CA ASP A1617 -6.891 -9.632 -5.341 1.00 15.82 C ATOM 1166 C ASP A1617 -6.340 -9.777 -3.935 1.00 16.57 C ATOM 1167 O ASP A1617 -6.652 -10.762 -3.245 1.00 16.64 O ATOM 1168 CB ASP A1617 -5.928 -10.173 -6.385 1.00 18.52 C ATOM 1169 CG ASP A1617 -6.555 -10.355 -7.767 1.00 22.90 C ATOM 1170 OD1 ASP A1617 -7.782 -10.192 -7.894 1.00 24.46 O ATOM 1171 OD2 ASP A1617 -5.803 -10.625 -8.726 1.00 30.18 O ATOM 1172 H ASP A1617 -6.701 -7.740 -6.369 1.00 0.00 H ATOM 1173 N ILE A1618 -5.599 -8.782 -3.451 1.00 14.41 N ATOM 1174 CA ILE A1618 -5.060 -8.783 -2.095 1.00 13.95 C ATOM 1175 C ILE A1618 -6.235 -8.707 -1.127 1.00 15.32 C ATOM 1176 O ILE A1618 -6.276 -9.433 -0.118 1.00 16.15 O ATOM 1177 CB ILE A1618 -4.073 -7.587 -1.936 1.00 15.20 C ATOM 1178 CG1 ILE A1618 -2.759 -7.912 -2.660 1.00 15.87 C ATOM 1179 CG2 ILE A1618 -3.788 -7.357 -0.442 1.00 15.99 C ATOM 1180 CD1 ILE A1618 -1.841 -6.639 -2.896 1.00 16.93 C ATOM 1181 H ILE A1618 -5.396 -7.969 -4.066 1.00 0.00 H ATOM 1182 N CYS A1619 -7.204 -7.863 -1.436 1.00 14.68 N ATOM 1183 CA CYS A1619 -8.380 -7.738 -0.599 1.00 15.94 C ATOM 1184 C CYS A1619 -9.207 -9.039 -0.541 1.00 16.54 C ATOM 1185 O CYS A1619 -9.585 -9.488 0.563 1.00 16.34 O ATOM 1186 CB CYS A1619 -9.227 -6.565 -1.065 1.00 18.15 C ATOM 1187 SG CYS A1619 -10.614 -6.228 0.010 1.00 24.41 S ATOM 1188 H CYS A1619 -7.121 -7.280 -2.293 1.00 0.00 H ATOM 1189 N THR A1620 -9.441 -9.656 -1.701 1.00 15.49 N ATOM 1190 CA THR A1620 -10.173 -10.921 -1.772 1.00 14.83 C ATOM 1191 C THR A1620 -9.477 -11.983 -0.908 1.00 16.47 C ATOM 1192 O THR A1620 -10.158 -12.683 -0.115 1.00 16.01 O ATOM 1193 CB THR A1620 -10.296 -11.382 -3.235 1.00 19.13 C ATOM 1194 OG1 THR A1620 -11.058 -10.401 -3.923 1.00 20.22 O ATOM 1195 CG2 THR A1620 -11.014 -12.745 -3.347 1.00 19.20 C ATOM 1196 HG1 THR A1620 -11.157 -10.667 -4.871 1.00 0.00 H ATOM 1197 H THR A1620 -9.093 -9.225 -2.581 1.00 0.00 H ATOM 1198 N ALA A1621 -8.152 -12.114 -1.012 1.00 15.51 N ATOM 1199 CA ALA A1621 -7.413 -13.094 -0.232 1.00 16.08 C ATOM 1200 C ALA A1621 -7.452 -12.774 1.259 1.00 17.14 C ATOM 1201 O ALA A1621 -7.581 -13.701 2.080 1.00 16.40 O ATOM 1202 CB ALA A1621 -5.972 -13.209 -0.733 1.00 17.96 C ATOM 1203 H ALA A1621 -7.634 -11.497 -1.670 1.00 0.00 H ATOM 1204 N LYS A1622 -7.371 -11.504 1.633 1.00 15.02 N ATOM 1205 CA LYS A1622 -7.423 -11.100 3.039 1.00 15.40 C ATOM 1206 C LYS A1622 -8.782 -11.494 3.642 1.00 16.60 C ATOM 1207 O LYS A1622 -8.828 -12.073 4.735 1.00 16.82 O ATOM 1208 CB LYS A1622 -7.210 -9.586 3.143 1.00 17.99 C ATOM 1209 CG LYS A1622 -7.191 -9.067 4.579 1.00 22.76 C ATOM 1210 CD LYS A1622 -7.212 -7.530 4.628 1.00 29.41 C ATOM 1211 CE LYS A1622 -6.578 -6.983 5.885 1.00 46.64 C ATOM 1212 NZ LYS A1622 -5.097 -6.892 5.767 1.00 59.67 N ATOM 1213 HZ1 LYS A1622 -4.706 -7.839 5.590 1.00 0.00 H ATOM 1214 HZ2 LYS A1622 -4.851 -6.261 4.977 1.00 0.00 H ATOM 1215 HZ3 LYS A1622 -4.703 -6.512 6.651 1.00 0.00 H ATOM 1216 H LYS A1622 -7.267 -10.771 0.903 1.00 0.00 H ATOM 1217 N GLU A1623 -9.868 -11.212 2.913 1.00 14.91 N ATOM 1218 CA GLU A1623 -11.212 -11.546 3.369 1.00 16.41 C ATOM 1219 C GLU A1623 -11.395 -13.052 3.510 1.00 16.27 C ATOM 1220 O GLU A1623 -11.974 -13.517 4.517 1.00 15.83 O ATOM 1221 CB GLU A1623 -12.272 -10.933 2.445 1.00 17.87 C ATOM 1222 CG GLU A1623 -12.295 -9.405 2.515 1.00 22.27 C ATOM 1223 CD GLU A1623 -13.235 -8.650 1.589 1.00 52.44 C ATOM 1224 OE1 GLU A1623 -13.367 -7.417 1.767 1.00 46.67 O ATOM 1225 OE2 GLU A1623 -13.836 -9.278 0.687 1.00 55.59 O ATOM 1226 H GLU A1623 -9.750 -10.740 1.994 1.00 0.00 H ATOM 1227 N ALA A1624 -10.880 -13.836 2.548 1.00 15.20 N ATOM 1228 CA ALA A1624 -11.012 -15.288 2.617 1.00 15.27 C ATOM 1229 C ALA A1624 -10.193 -15.856 3.782 1.00 16.06 C ATOM 1230 O ALA A1624 -10.671 -16.750 4.505 1.00 15.69 O ATOM 1231 CB ALA A1624 -10.580 -15.917 1.302 1.00 16.28 C ATOM 1232 H ALA A1624 -10.381 -13.403 1.745 1.00 0.00 H ATOM 1233 N ALA A1625 -9.001 -15.291 4.046 1.00 15.86 N ATOM 1234 CA ALA A1625 -8.159 -15.785 5.153 1.00 16.34 C ATOM 1235 C ALA A1625 -8.806 -15.425 6.495 1.00 16.41 C ATOM 1236 O ALA A1625 -8.747 -16.223 7.440 1.00 15.70 O ATOM 1237 CB ALA A1625 -6.743 -15.213 5.055 1.00 17.98 C ATOM 1238 H ALA A1625 -8.669 -14.496 3.463 1.00 0.00 H ATOM 1239 N LEU A1626 -9.445 -14.267 6.570 1.00 14.74 N ATOM 1240 CA LEU A1626 -10.126 -13.837 7.788 1.00 14.70 C ATOM 1241 C LEU A1626 -11.288 -14.800 8.114 1.00 16.02 C ATOM 1242 O LEU A1626 -11.431 -15.264 9.261 1.00 15.28 O ATOM 1243 CB LEU A1626 -10.628 -12.397 7.643 1.00 15.26 C ATOM 1244 CG LEU A1626 -11.421 -11.877 8.816 1.00 16.95 C ATOM 1245 CD1 LEU A1626 -10.556 -11.782 10.083 1.00 18.24 C ATOM 1246 CD2 LEU A1626 -12.049 -10.533 8.478 1.00 20.04 C ATOM 1247 H LEU A1626 -9.462 -13.645 5.736 1.00 0.00 H ATOM 1248 N GLU A1627 -12.091 -15.129 7.104 1.00 14.38 N ATOM 1249 CA GLU A1627 -13.216 -16.034 7.279 1.00 14.12 C ATOM 1250 C GLU A1627 -12.711 -17.422 7.746 1.00 14.26 C ATOM 1251 O GLU A1627 -13.260 -18.027 8.661 1.00 14.66 O ATOM 1252 CB GLU A1627 -13.960 -16.135 5.961 1.00 15.72 C ATOM 1253 CG GLU A1627 -15.107 -17.108 6.051 1.00 18.50 C ATOM 1254 CD GLU A1627 -16.303 -16.719 6.892 1.00 19.86 C ATOM 1255 OE1 GLU A1627 -17.127 -17.619 7.180 1.00 22.19 O ATOM 1256 OE2 GLU A1627 -16.448 -15.523 7.236 1.00 23.46 O ATOM 1257 H GLU A1627 -11.908 -14.727 6.162 1.00 0.00 H ATOM 1258 N GLU A1628 -11.645 -17.922 7.083 1.00 14.52 N ATOM 1259 CA GLU A1628 -11.068 -19.202 7.482 1.00 14.67 C ATOM 1260 C GLU A1628 -10.604 -19.201 8.949 1.00 14.71 C ATOM 1261 O GLU A1628 -10.863 -20.171 9.671 1.00 15.83 O ATOM 1262 CB GLU A1628 -9.916 -19.563 6.516 1.00 16.18 C ATOM 1263 CG GLU A1628 -9.187 -20.863 6.813 1.00 20.13 C ATOM 1264 CD GLU A1628 -9.966 -22.146 6.611 1.00 25.21 C ATOM 1265 OE1 GLU A1628 -9.534 -23.184 7.167 1.00 25.82 O ATOM 1266 OE2 GLU A1628 -11.001 -22.136 5.906 1.00 23.22 O ATOM 1267 H GLU A1628 -11.235 -17.394 6.287 1.00 0.00 H ATOM 1268 N ALA A1629 -9.938 -18.107 9.384 1.00 14.73 N ATOM 1269 CA ALA A1629 -9.465 -18.028 10.776 1.00 14.61 C ATOM 1270 C ALA A1629 -10.636 -18.018 11.769 1.00 14.86 C ATOM 1271 O ALA A1629 -10.582 -18.675 12.806 1.00 15.20 O ATOM 1272 CB ALA A1629 -8.595 -16.801 10.966 1.00 16.56 C ATOM 1273 H ALA A1629 -9.759 -17.317 8.731 1.00 0.00 H ATOM 1274 N GLU A1630 -11.705 -17.282 11.415 1.00 14.19 N ATOM 1275 CA GLU A1630 -12.887 -17.209 12.256 1.00 14.91 C ATOM 1276 C GLU A1630 -13.534 -18.606 12.403 1.00 15.70 C ATOM 1277 O GLU A1630 -13.883 -19.034 13.503 1.00 15.94 O ATOM 1278 CB GLU A1630 -13.865 -16.211 11.635 1.00 15.77 C ATOM 1279 CG GLU A1630 -13.371 -14.780 11.716 1.00 16.42 C ATOM 1280 CD GLU A1630 -14.006 -13.756 10.816 1.00 18.52 C ATOM 1281 OE1 GLU A1630 -14.574 -14.153 9.773 1.00 19.01 O ATOM 1282 OE2 GLU A1630 -13.943 -12.556 11.150 1.00 17.77 O ATOM 1283 H GLU A1630 -11.685 -16.754 10.519 1.00 0.00 H ATOM 1284 N LEU A1631 -13.676 -19.319 11.270 1.00 14.34 N ATOM 1285 CA LEU A1631 -14.259 -20.664 11.275 1.00 14.23 C ATOM 1286 C LEU A1631 -13.395 -21.676 12.038 1.00 14.70 C ATOM 1287 O LEU A1631 -13.939 -22.494 12.781 1.00 16.36 O ATOM 1288 CB LEU A1631 -14.521 -21.108 9.839 1.00 14.69 C ATOM 1289 CG LEU A1631 -15.573 -20.301 9.068 1.00 15.67 C ATOM 1290 CD1 LEU A1631 -15.621 -20.730 7.608 1.00 17.63 C ATOM 1291 CD2 LEU A1631 -16.973 -20.461 9.687 1.00 19.70 C ATOM 1292 H LEU A1631 -13.364 -18.905 10.368 1.00 0.00 H ATOM 1293 N GLU A1632 -12.064 -21.577 11.892 1.00 14.56 N ATOM 1294 CA GLU A1632 -11.171 -22.476 12.632 1.00 15.36 C ATOM 1295 C GLU A1632 -11.232 -22.260 14.149 1.00 18.04 C ATOM 1296 O GLU A1632 -11.079 -23.208 14.911 1.00 19.22 O ATOM 1297 CB GLU A1632 -9.729 -22.325 12.159 1.00 17.44 C ATOM 1298 CG GLU A1632 -9.467 -22.895 10.770 1.00 18.49 C ATOM 1299 CD GLU A1632 -9.377 -24.404 10.645 1.00 34.61 C ATOM 1300 OE1 GLU A1632 -9.593 -25.125 11.647 1.00 36.91 O ATOM 1301 OE2 GLU A1632 -9.075 -24.865 9.522 1.00 33.15 O ATOM 1302 H GLU A1632 -11.665 -20.861 11.252 1.00 0.00 H ATOM 1303 N SER A1633 -11.471 -21.023 14.581 1.00 17.07 N ATOM 1304 CA SER A1633 -11.515 -20.702 15.998 1.00 18.14 C ATOM 1305 C SER A1633 -12.737 -21.258 16.655 1.00 22.05 C ATOM 1306 O SER A1633 -12.638 -21.704 17.798 1.00 22.00 O ATOM 1307 CB SER A1633 -11.462 -19.198 16.193 1.00 21.04 C ATOM 1308 OG SER A1633 -11.457 -18.868 17.572 1.00 32.66 O ATOM 1309 HG SER A1633 -12.281 -19.216 17.996 1.00 0.00 H ATOM 1310 H SER A1633 -11.630 -20.266 13.886 1.00 0.00 H ATOM 1311 N LEU A1634 -13.904 -21.272 15.956 1.00 20.40 N ATOM 1312 CA LEU A1634 -15.166 -21.744 16.525 1.00 25.26 C ATOM 1313 C LEU A1634 -15.215 -23.257 16.581 1.00 45.74 C ATOM 1314 O LEU A1634 -15.926 -23.800 17.424 1.00 34.31 O ATOM 1315 CB LEU A1634 -16.366 -21.223 15.703 1.00 24.99 C ATOM 1316 CG LEU A1634 -16.725 -19.727 15.794 1.00 29.20 C ATOM 1317 CD1 LEU A1634 -17.703 -19.346 14.681 1.00 30.31 C ATOM 1318 CD2 LEU A1634 -17.350 -19.383 17.149 1.00 30.68 C ATOM 1319 H LEU A1634 -13.899 -20.932 14.973 1.00 0.00 H TER 1320 LEU A1634 HETATM 1321 O HOH 1 15.595 26.836 14.537 1.00 50.00 O HETATM 1322 O HOH 2 -1.434 15.847 -3.132 1.00 50.00 O HETATM 1323 O HOH 3 -6.474 6.352 3.522 1.00 20.00 O HETATM 1324 O HOH 4 -15.461 -12.404 8.052 1.00 22.66 O HETATM 1325 O HOH 5 4.600 9.765 11.509 1.00 29.03 O HETATM 1326 O HOH 6 15.097 24.876 11.171 1.00 22.78 O HETATM 1327 O HOH 7 -3.930 -12.094 -3.377 1.00 26.33 O HETATM 1328 O HOH 8 -6.739 9.113 1.570 1.00 13.97 O HETATM 1329 O HOH 9 14.431 19.592 -8.031 1.00 22.94 O HETATM 1330 O HOH 10 0.978 -11.219 -8.571 1.00 25.57 O HETATM 1331 O HOH 11 14.299 28.549 17.840 1.00 35.36 O HETATM 1332 O HOH 12 -6.186 3.903 2.733 1.00 28.87 O HETATM 1333 O HOH 13 15.480 22.086 -4.665 1.00 26.48 O HETATM 1334 O HOH 14 -5.582 3.212 -17.015 1.00 23.57 O HETATM 1335 O HOH 15 -0.003 20.703 -3.384 1.00 19.27 O HETATM 1336 O HOH 16 4.494 -12.028 -10.542 1.00 36.92 O HETATM 1337 O HOH 17 10.484 10.867 9.399 1.00 15.10 O HETATM 1338 O HOH 18 3.189 23.146 -3.911 1.00 23.44 O HETATM 1339 O HOH 19 -16.089 -24.243 20.078 1.00 41.32 O HETATM 1340 O HOH 20 -8.824 -27.543 9.307 1.00 50.37 O HETATM 1341 O HOH 21 -8.373 -19.240 14.257 1.00 24.36 O HETATM 1342 O HOH 22 -13.344 -10.923 13.219 1.00 19.41 O HETATM 1343 O HOH 23 2.953 22.275 15.301 1.00 40.62 O HETATM 1344 O HOH 24 -14.318 -11.076 -1.277 1.00 38.17 O HETATM 1345 O HOH 25 13.771 -0.425 -5.452 1.00 21.64 O HETATM 1346 O HOH 26 20.454 12.734 17.073 1.00 30.81 O HETATM 1347 O HOH 27 -1.259 2.964 -17.569 1.00 24.45 O HETATM 1348 O HOH 28 -8.017 -1.103 -2.453 1.00 23.07 O HETATM 1349 O HOH 29 16.549 12.918 -11.988 1.00 41.92 O HETATM 1350 O HOH 30 1.379 17.658 8.204 1.00 18.69 O HETATM 1351 O HOH 31 16.535 6.944 -11.721 1.00 51.57 O HETATM 1352 O HOH 32 11.406 -1.351 0.597 1.00 19.60 O HETATM 1353 O HOH 33 13.148 27.411 3.270 1.00 16.70 O HETATM 1354 O HOH 34 12.802 26.451 5.901 1.00 16.08 O HETATM 1355 O HOH 35 12.165 23.462 -8.172 1.00 39.22 O HETATM 1356 O HOH 36 -4.335 -13.773 -6.595 1.00 50.81 O HETATM 1357 O HOH 37 18.923 9.528 -4.999 1.00 31.66 O HETATM 1358 O HOH 38 16.459 25.753 18.765 1.00 27.37 O HETATM 1359 O HOH 39 6.428 1.881 -17.029 1.00 45.33 O HETATM 1360 O HOH 40 -1.048 -3.020 6.816 1.00 36.93 O HETATM 1361 O HOH 41 18.291 4.714 -10.368 1.00 50.01 O HETATM 1362 O HOH 42 7.377 15.397 16.805 1.00 24.34 O HETATM 1363 O HOH 43 -0.197 9.027 6.513 1.00 25.12 O HETATM 1364 O HOH 44 -6.611 -16.191 1.484 1.00 21.62 O HETATM 1365 O HOH 45 8.589 16.898 4.669 1.00 12.25 O HETATM 1366 O HOH 46 12.561 26.857 -7.878 1.00 50.16 O HETATM 1367 O HOH 47 -7.351 -3.823 -13.559 1.00 26.40 O HETATM 1368 O HOH 48 16.715 21.047 19.487 1.00 25.03 O HETATM 1369 O HOH 49 1.811 -1.429 -16.323 1.00 45.63 O HETATM 1370 O HOH 50 -13.130 -20.979 4.617 1.00 24.94 O HETATM 1371 O HOH 51 7.576 -8.238 5.028 1.00 39.57 O HETATM 1372 O HOH 52 18.456 10.268 9.877 1.00 19.24 O HETATM 1373 O HOH 53 -10.360 -25.664 6.307 1.00 26.93 O HETATM 1374 O HOH 54 -9.081 -4.986 -11.751 1.00 27.88 O HETATM 1375 O HOH 55 20.663 11.333 0.386 1.00 15.26 O HETATM 1376 O HOH 56 -7.665 0.537 -6.368 1.00 16.71 O HETATM 1377 O HOH 57 2.224 8.301 -16.442 1.00 25.01 O HETATM 1378 O HOH 58 17.471 6.574 -8.505 1.00 31.70 O HETATM 1379 O HOH 59 -4.229 -4.901 -20.715 1.00 54.16 O HETATM 1380 O HOH 60 -12.856 -13.246 -0.343 1.00 19.95 O HETATM 1381 O HOH 61 12.527 11.287 -11.104 1.00 24.38 O HETATM 1382 O HOH 62 7.746 14.865 6.330 1.00 14.11 O HETATM 1383 O HOH 63 2.798 19.073 12.796 1.00 21.87 O HETATM 1384 O HOH 64 -0.838 4.728 5.289 1.00 25.51 O HETATM 1385 O HOH 65 -4.368 -16.685 -2.124 1.00 41.77 O HETATM 1386 O HOH 66 7.618 8.634 -14.265 1.00 35.18 O HETATM 1387 O HOH 67 16.200 21.604 -7.276 1.00 31.84 O HETATM 1388 O HOH 68 -10.219 -10.621 -6.566 1.00 27.15 O HETATM 1389 O HOH 69 17.576 25.277 5.715 1.00 14.14 O HETATM 1390 O HOH 70 8.002 16.047 -10.484 1.00 28.37 O HETATM 1391 O HOH 71 19.242 20.338 18.575 1.00 26.38 O HETATM 1392 O HOH 72 2.737 24.957 -1.843 1.00 23.50 O HETATM 1393 O HOH 73 21.081 8.745 1.032 1.00 19.79 O HETATM 1394 O HOH 74 -7.069 -22.887 8.432 1.00 50.87 O HETATM 1395 O HOH 75 21.813 11.305 6.403 1.00 50.00 O HETATM 1396 O HOH 76 5.705 26.662 -4.062 1.00 29.83 O HETATM 1397 O HOH 77 2.232 6.941 8.829 1.00 25.90 O HETATM 1398 O HOH 78 -13.822 -10.774 -4.038 1.00 37.22 O HETATM 1399 O HOH 79 -6.614 -18.014 7.678 1.00 22.89 O HETATM 1400 O HOH 80 2.689 27.068 6.328 1.00 31.49 O HETATM 1401 O HOH 81 0.399 21.361 5.848 1.00 17.61 O HETATM 1402 O HOH 82 -5.957 -4.327 -1.154 1.00 19.44 O HETATM 1403 O HOH 83 9.719 14.470 8.638 1.00 13.72 O HETATM 1404 O HOH 84 3.044 16.725 11.278 1.00 17.30 O HETATM 1405 O HOH 85 -4.372 -8.549 7.913 1.00 47.63 O HETATM 1406 O HOH 86 -6.860 -11.883 6.731 1.00 22.70 O HETATM 1407 O HOH 87 19.931 12.758 2.597 1.00 12.19 O HETATM 1408 O HOH 88 -16.733 -22.832 12.710 1.00 23.87 O HETATM 1409 O HOH 89 -13.715 -5.536 -10.931 1.00 51.43 O HETATM 1410 O HOH 90 15.567 3.150 -13.223 1.00 38.52 O HETATM 1411 O HOH 91 15.979 14.828 6.786 1.00 12.17 O HETATM 1412 O HOH 92 -1.922 12.156 4.209 1.00 15.17 O HETATM 1413 O HOH 93 7.638 22.024 -7.748 1.00 24.04 O HETATM 1414 O HOH 94 -14.206 -12.179 5.611 1.00 23.06 O HETATM 1415 O HOH 95 -4.682 -6.896 2.971 1.00 44.05 O HETATM 1416 O HOH 96 -8.324 3.004 -1.902 1.00 16.73 O HETATM 1417 O HOH 97 8.791 2.217 9.574 1.00 34.10 O HETATM 1418 O HOH 98 9.433 19.027 6.205 1.00 11.97 O HETATM 1419 O HOH 99 22.335 21.330 9.785 1.00 14.52 O HETATM 1420 O HOH 100 19.280 7.066 8.152 1.00 41.83 O HETATM 1421 O HOH 101 8.846 -7.050 -3.292 1.00 20.51 O HETATM 1422 O HOH 102 -10.324 -21.427 19.420 1.00 27.42 O HETATM 1423 O HOH 103 6.303 18.699 19.586 1.00 29.79 O HETATM 1424 O HOH 104 -1.127 17.068 0.757 1.00 15.26 O HETATM 1425 O HOH 105 -6.984 1.668 1.650 1.00 33.64 O HETATM 1426 O HOH 106 -0.498 9.732 9.494 1.00 44.42 O HETATM 1427 O HOH 107 -7.305 -13.320 -4.306 1.00 27.98 O HETATM 1428 O HOH 108 -12.733 -18.362 3.382 1.00 21.76 O HETATM 1429 O HOH 109 -2.031 4.131 -10.466 1.00 15.00 O HETATM 1430 O HOH 110 12.930 29.066 -0.470 1.00 20.70 O HETATM 1431 O HOH 111 8.459 2.944 -13.992 1.00 28.89 O HETATM 1432 O HOH 112 -0.461 17.230 -8.015 1.00 50.00 O HETATM 1433 O HOH 113 3.830 -4.267 -13.437 1.00 27.87 O HETATM 1434 O HOH 114 -6.174 5.161 -10.754 1.00 22.19 O HETATM 1435 O HOH 115 17.185 6.868 1.688 1.00 28.33 O HETATM 1436 O HOH 116 0.980 29.880 -1.498 1.00 53.56 O HETATM 1437 O HOH 117 -8.110 5.179 -13.858 1.00 23.62 O HETATM 1438 O HOH 118 13.344 5.158 8.860 1.00 28.53 O HETATM 1439 O HOH 119 11.714 13.187 10.080 1.00 13.46 O HETATM 1440 O HOH 120 -0.111 18.099 -4.285 1.00 50.00 O HETATM 1441 O HOH 121 -0.523 -14.251 -7.591 1.00 33.20 O HETATM 1442 O HOH 122 16.217 13.367 15.823 1.00 21.19 O HETATM 1443 O HOH 123 6.274 30.113 2.031 1.00 25.31 O HETATM 1444 O HOH 124 4.906 4.944 9.203 1.00 21.41 O HETATM 1445 O HOH 125 5.460 24.607 17.524 1.00 44.26 O HETATM 1446 O HOH 126 -8.837 -1.980 -6.929 1.00 20.00 O HETATM 1447 O HOH 127 12.364 -3.808 -3.847 1.00 38.47 O HETATM 1448 O HOH 128 1.721 -9.637 -10.621 1.00 35.49 O HETATM 1449 O HOH 129 18.845 2.114 -7.721 1.00 41.43 O HETATM 1450 O HOH 130 5.168 -6.258 -9.692 1.00 21.70 O HETATM 1451 O HOH 131 -6.101 2.771 -3.585 1.00 13.23 O HETATM 1452 O HOH 132 -3.958 -10.690 1.093 1.00 21.99 O HETATM 1453 O HOH 133 17.654 5.366 -4.947 1.00 29.14 O HETATM 1454 O HOH 134 11.834 -5.235 6.887 1.00 42.21 O HETATM 1455 O HOH 135 11.309 27.421 8.133 1.00 29.91 O HETATM 1456 O HOH 136 18.459 13.083 -5.738 1.00 21.23 O HETATM 1457 O HOH 137 -11.701 -7.263 -3.749 1.00 26.57 O HETATM 1458 O HOH 138 9.532 23.807 -8.988 1.00 41.62 O HETATM 1459 O HOH 139 3.129 -4.100 8.275 1.00 43.69 O HETATM 1460 O HOH 140 3.493 -2.356 1.015 1.00 19.00 O HETATM 1461 O HOH 141 -2.957 -0.346 3.540 1.00 27.83 O HETATM 1462 O HOH 142 7.824 0.722 -10.195 1.00 21.23 O HETATM 1463 O HOH 143 9.050 26.510 11.173 1.00 33.22 O HETATM 1464 O HOH 144 -2.237 0.540 -16.811 1.00 23.09 O HETATM 1465 O HOH 145 8.384 -1.995 -14.786 1.00 34.60 O HETATM 1466 O HOH 146 -0.791 -1.628 -15.520 1.00 22.55 O HETATM 1467 O HOH 147 20.460 23.980 12.055 1.00 18.66 O HETATM 1468 O HOH 148 13.064 26.980 20.055 1.00 47.70 O HETATM 1469 O HOH 149 6.417 12.438 16.387 1.00 36.75 O HETATM 1470 O HOH 150 5.136 1.219 10.252 1.00 40.91 O HETATM 1471 O HOH 151 -2.198 18.152 7.114 1.00 36.04 O HETATM 1472 O HOH 152 22.437 18.489 -7.508 1.00 33.18 O HETATM 1473 O HOH 153 20.433 15.859 -6.957 1.00 21.70 O HETATM 1474 O HOH 154 16.526 23.685 20.520 1.00 30.78 O HETATM 1475 O HOH 155 2.965 2.855 10.264 1.00 35.49 O HETATM 1476 O HOH 156 -3.373 -9.385 -9.920 1.00 60.68 O HETATM 1477 O HOH 157 14.470 1.842 4.545 1.00 30.78 O HETATM 1478 O HOH 158 19.394 14.916 -3.804 1.00 14.52 O HETATM 1479 O HOH 159 -2.718 -15.070 -0.536 1.00 46.48 O HETATM 1480 O HOH 160 0.310 16.378 11.574 1.00 27.14 O HETATM 1481 O HOH 161 24.133 12.523 14.826 1.00 36.83 O HETATM 1482 O HOH 162 0.105 -11.990 -1.450 1.00 29.36 O HETATM 1483 O HOH 163 2.060 20.932 -8.712 1.00 31.91 O HETATM 1484 O HOH 164 -0.279 5.433 9.178 1.00 30.80 O HETATM 1485 O HOH 165 -0.833 14.679 9.800 1.00 24.79 O HETATM 1486 O HOH 166 16.736 1.359 5.986 1.00 53.83 O HETATM 1487 O HOH 167 14.531 5.705 -14.075 1.00 52.72 O HETATM 1488 O HOH 168 -1.324 1.267 5.570 1.00 33.59 O HETATM 1489 O HOH 169 19.152 17.350 24.358 1.00 42.27 O HETATM 1490 O HOH 170 20.775 11.121 11.169 1.00 26.43 O HETATM 1491 O HOH 171 2.955 -12.005 -1.623 1.00 23.94 O HETATM 1492 O HOH 172 19.278 13.243 -8.309 1.00 36.86 O HETATM 1493 O HOH 173 -16.921 -13.512 4.802 1.00 31.75 O HETATM 1494 O HOH 174 12.915 3.380 -13.760 1.00 49.90 O HETATM 1495 O HOH 175 17.954 0.388 -2.791 1.00 55.33 O HETATM 1496 O HOH 176 -14.953 -25.395 13.745 1.00 48.75 O HETATM 1497 O HOH 177 11.390 26.574 12.542 1.00 33.61 O HETATM 1498 O HOH 178 6.063 20.395 -9.386 1.00 41.77 O HETATM 1499 O HOH 179 -12.138 -25.641 16.820 1.00 33.72 O HETATM 1500 O HOH 180 3.750 14.889 -12.811 1.00 34.45 O HETATM 1501 O HOH 181 16.497 4.014 1.757 1.00 22.23 O HETATM 1502 O HOH 182 7.604 8.250 11.594 1.00 39.41 O HETATM 1503 O HOH 183 18.897 7.817 -0.290 1.00 35.18 O HETATM 1504 O HOH 184 -14.198 -13.850 1.972 1.00 25.53 O HETATM 1505 O HOH 185 1.345 26.953 -3.157 1.00 40.63 O HETATM 1506 O HOH 186 -12.459 -26.248 14.231 1.00 29.28 O HETATM 1507 O HOH 187 -18.120 -22.083 19.409 1.00 36.86 O HETATM 1508 O HOH 188 -8.544 -15.181 -2.483 1.00 28.97 O HETATM 1509 O HOH 189 9.922 -4.541 -2.926 1.00 25.21 O HETATM 1510 O HOH 190 6.579 18.258 -10.975 1.00 31.48 O HETATM 1511 O HOH 191 -3.481 19.510 9.053 1.00 49.59 O HETATM 1512 O HOH 192 6.769 28.385 7.851 1.00 57.10 O HETATM 1513 O HOH 193 -3.118 -9.800 5.703 1.00 47.35 O HETATM 1514 O HOH 194 -6.828 -13.612 8.842 1.00 25.33 O HETATM 1515 O HOH 195 8.408 -1.750 -11.001 1.00 34.22 O HETATM 1516 O HOH 196 1.281 6.168 -17.865 1.00 29.99 O HETATM 1517 O HOH 197 18.824 4.350 4.088 1.00 52.91 O HETATM 1518 O HOH 198 -7.438 -18.361 3.087 1.00 28.75 O HETATM 1519 O HOH 199 14.038 9.743 -12.764 1.00 39.12 O HETATM 1520 O HOH 200 -4.209 -12.762 2.815 1.00 27.39 O HETATM 1521 O HOH 201 10.405 27.049 15.033 1.00 42.35 O HETATM 1522 O HOH 202 0.161 19.579 1.378 1.00 14.56 O HETATM 1523 O HOH 203 21.396 8.447 6.937 1.00 30.16 O HETATM 1524 O HOH 204 -8.868 2.685 -9.681 1.00 34.94 O HETATM 1525 O HOH 205 4.809 -14.182 -1.715 1.00 34.43 O HETATM 1526 O HOH 206 22.720 7.124 4.830 1.00 26.84 O HETATM 1527 O HOH 207 8.805 -7.994 -0.597 1.00 31.57 O HETATM 1528 O HOH 208 -6.798 -20.057 9.485 1.00 31.34 O HETATM 1529 O HOH 209 13.793 -0.916 4.160 1.00 36.81 O HETATM 1530 O HOH 210 -8.542 3.186 -6.859 1.00 16.29 O HETATM 1531 O HOH 211 -9.282 -13.284 -6.477 1.00 38.65 O HETATM 1532 O HOH 212 6.160 13.639 -13.102 1.00 48.67 O HETATM 1533 O HOH 213 13.817 -2.153 1.607 1.00 32.40 O HETATM 1534 O HOH 214 9.323 2.824 -11.278 1.00 22.65 O HETATM 1535 O HOH 215 -6.533 -6.320 -15.210 1.00 47.03 O HETATM 1536 O HOH 216 4.493 9.106 -17.836 1.00 40.88 O HETATM 1537 O HOH 217 -5.137 -15.835 8.491 1.00 30.55 O HETATM 1538 O HOH 218 -17.007 -17.564 11.793 1.00 33.51 O HETATM 1539 O HOH 219 -17.063 -15.915 3.505 1.00 27.88 O HETATM 1540 O HOH 220 10.380 -3.917 -0.310 1.00 24.71 O HETATM 1541 O HOH 221 5.583 23.946 -4.737 1.00 27.39 O HETATM 1542 O HOH 222 4.075 -8.354 -11.054 1.00 33.47 O HETATM 1543 O HOH 223 -5.093 5.735 -7.989 1.00 20.23 O HETATM 1544 O HOH 224 -1.201 14.630 5.055 1.00 20.63 O HETATM 1545 O HOH 225 -7.906 -21.261 15.986 1.00 39.38 O HETATM 1546 O HOH 226 -6.485 -5.478 1.487 1.00 24.10 O HETATM 1547 O HOH 227 21.627 5.569 2.345 1.00 44.67 O HETATM 1548 O HOH 228 -9.672 -2.551 -4.356 1.00 25.69 O HETATM 1549 O HOH 229 -4.095 -15.387 2.136 1.00 27.69 O HETATM 1550 O HOH 230 18.300 19.716 23.278 1.00 48.93 O HETATM 1551 O HOH 231 -8.453 0.775 -0.316 1.00 24.19 O HETATM 1552 O HOH 232 4.946 9.630 14.187 1.00 45.31 O HETATM 1553 O HOH 233 -1.670 6.792 7.003 1.00 38.48 O HETATM 1554 O HOH 234 11.362 22.505 23.450 1.00 40.12 O HETATM 1555 O HOH 235 -3.419 -0.556 -19.004 1.00 34.75 O HETATM 1556 O HOH 236 -3.088 -9.016 3.085 1.00 31.87 O HETATM 1557 O HOH 237 24.983 11.437 12.461 1.00 37.30 O HETATM 1558 O HOH 238 1.362 24.072 -5.933 1.00 40.49 O HETATM 1559 O HOH 239 16.661 -0.983 -4.969 1.00 42.46 O HETATM 1560 O HOH 240 4.961 11.479 18.482 1.00 55.66 O HETATM 1561 O HOH 241 -3.450 -6.958 -14.186 1.00 39.10 O HETATM 1562 O HOH 242 -0.725 15.953 7.378 1.00 20.55 O HETATM 1563 O HOH 243 -3.419 12.042 11.028 1.00 43.90 O HETATM 1564 O HOH 244 1.446 -10.894 -13.420 1.00 59.80 O HETATM 1565 O HOH 245 -13.650 -9.448 5.372 1.00 38.98 O HETATM 1566 O HOH 246 19.213 8.433 -7.472 1.00 37.75 O HETATM 1567 O HOH 247 11.309 30.578 1.406 1.00 34.67 O HETATM 1568 O HOH 248 2.103 23.383 12.105 1.00 40.82 O HETATM 1569 O HOH 249 -2.189 16.386 3.181 1.00 16.40 O HETATM 1570 O HOH 250 -2.508 -16.171 -7.484 1.00 46.23 O HETATM 1571 O HOH 251 9.798 25.817 17.384 1.00 33.89 O HETATM 1572 O HOH 252 12.709 30.413 -2.924 1.00 38.27 O HETATM 1573 O HOH 253 21.013 18.920 20.071 1.00 40.58 O HETATM 1574 O HOH 254 14.796 20.376 -10.656 1.00 42.71 O HETATM 1575 O HOH 255 21.576 23.654 8.375 1.00 15.37 O HETATM 1576 O HOH 256 -6.381 -1.625 2.351 1.00 39.03 O HETATM 1577 O HOH 257 -0.146 24.004 6.773 1.00 27.52 O HETATM 1578 O HOH 258 -7.062 -9.783 8.437 1.00 31.33 O HETATM 1579 O HOH 259 -15.932 -9.742 8.407 1.00 33.87 O HETATM 1580 O HOH 260 11.212 16.331 -10.611 1.00 38.10 O HETATM 1581 O HOH 261 12.663 14.013 -11.585 1.00 29.97 O HETATM 1582 O HOH 262 -3.600 4.217 -18.482 1.00 30.32 O HETATM 1583 O HOH 263 -11.454 -4.526 -3.525 1.00 29.83 O HETATM 1584 O HOH 264 11.693 -0.310 -12.581 1.00 38.65 O HETATM 1585 O HOH 265 0.991 25.999 8.146 1.00 35.41 O HETATM 1586 O HOH 266 -5.477 -21.615 6.006 1.00 55.52 O HETATM 1587 O HOH 267 -14.635 -16.569 2.342 1.00 22.15 O HETATM 1588 O HOH 268 -13.283 -15.475 -1.821 1.00 27.98 O HETATM 1589 O HOH 269 -5.838 -18.901 5.223 1.00 31.73 O HETATM 1590 O HOH 270 -1.007 20.765 3.554 1.00 17.73 O HETATM 1591 O HOH 271 18.894 7.352 -3.435 1.00 37.89 O HETATM 1592 O HOH 272 -4.343 -12.214 5.529 1.00 27.49 O HETATM 1593 O HOH 273 14.853 14.648 -13.220 1.00 37.31 O HETATM 1594 O HOH 274 -0.119 21.439 -0.674 1.00 17.42 O HETATM 1595 O HOH 275 -6.884 -16.936 -1.112 1.00 28.10 O HETATM 1596 O HOH 276 21.112 11.017 -4.480 1.00 21.85 O HETATM 1597 O HOH 277 20.312 15.367 -9.769 1.00 31.62 O HETATM 1598 O HOH 278 10.894 10.587 -13.397 1.00 48.75 O HETATM 1599 O HOH 279 19.758 4.150 -6.183 1.00 40.01 O HETATM 1600 O HOH 280 0.230 27.330 3.854 1.00 38.01 O HETATM 1601 O HOH 281 12.729 30.121 3.685 1.00 29.77 O HETATM 1602 O HOH 282 -9.036 -7.947 8.090 1.00 42.94 O HETATM 1603 O HOH 283 3.908 25.105 15.347 1.00 40.43 O HETATM 1604 O HOH 284 -10.930 -16.494 -2.771 1.00 37.52 O HETATM 1605 O HOH 285 16.645 10.305 -13.287 1.00 49.99 O HETATM 1606 O HOH 286 0.165 19.674 13.215 1.00 35.64 O HETATM 1607 O HOH 287 -17.792 -25.156 11.917 1.00 24.89 O HETATM 1608 O HOH 288 12.074 -5.991 0.662 1.00 33.53 O HETATM 1609 O HOH 289 5.610 23.770 -7.389 1.00 29.49 O HETATM 1610 O HOH 290 17.392 20.478 -11.457 1.00 36.48 O HETATM 1611 O HOH 291 6.818 5.357 11.347 1.00 41.56 O HETATM 1612 O HOH 292 -0.627 21.179 -9.068 1.00 32.93 O HETATM 1613 O HOH 293 0.451 24.114 -0.580 1.00 24.71 O HETATM 1614 O HOH 294 20.560 22.843 19.107 1.00 33.10 O HETATM 1615 O HOH 295 8.957 -12.769 0.348 1.00 29.56 O HETATM 1616 O HOH 296 -0.519 25.969 1.244 1.00 43.11 O HETATM 1617 O HOH 297 6.329 -13.983 0.697 1.00 41.43 O HETATM 1618 O HOH 298 -0.506 7.378 -19.476 1.00 39.19 O HETATM 1619 O HOH 299 -3.352 -16.660 4.439 1.00 42.78 O HETATM 1620 O HOH 300 -3.123 -14.937 6.565 1.00 34.13 O HETATM 1621 O HOH 301 2.012 16.524 19.863 1.00 46.02 O HETATM 1622 O HOH 302 7.180 27.523 14.879 1.00 38.87 O HETATM 1623 O HOH 303 -1.825 25.088 4.930 1.00 33.10 O HETATM 1624 O HOH 304 -2.306 23.133 3.098 1.00 31.13 O HETATM 1625 O HOH 305 10.450 13.486 -13.979 1.00 43.87 O HETATM 1626 O HOH 306 -4.769 -20.154 1.630 1.00 46.47 O HETATM 1627 O HOH 307 -2.801 17.336 19.727 1.00 53.59 O HETATM 1628 C4 G A 9 12.831 17.774 5.066 1.00 0.08 C HETATM 1629 C3 G A 9 12.515 16.761 6.185 1.00 0.00 C HETATM 1630 C2 G A 9 11.624 15.638 5.725 1.00 -0.09 C HETATM 1631 C1 G A 9 12.000 14.378 5.713 1.00 -0.12 C HETATM 1632 H12 G A 9 11.312 13.608 5.369 1.00 0.03 H HETATM 1633 H13 G A 9 13.000 14.105 6.047 1.00 0.03 H HETATM 1634 H14 G A 9 10.618 15.881 5.385 1.00 0.07 H HETATM 1635 H6 G A 9 12.014 17.292 7.008 1.00 0.05 H HETATM 1636 H7 G A 9 13.461 16.332 6.548 1.00 0.05 H HETATM 1637 N5 G A 9 13.653 18.876 5.584 1.00 -0.21 N HETATM 1638 C14 G A 9 13.104 20.109 5.805 1.00 0.24 C HETATM 1639 C13 G A 9 13.971 21.114 6.302 1.00 0.13 C HETATM 1640 C8 G A 9 15.323 20.882 6.585 1.00 -0.04 C HETATM 1641 C7 G A 9 15.851 19.524 6.371 1.00 -0.02 C HETATM 1642 C6 G A 9 14.994 18.597 5.837 1.00 0.06 C HETATM 1643 H3 G A 9 15.376 17.605 5.602 1.00 0.11 H HETATM 1644 C16 G A 9 17.242 19.130 6.707 1.00 -0.04 C HETATM 1645 C17 G A 9 18.339 19.991 6.489 1.00 -0.06 C HETATM 1646 C18 G A 9 19.636 19.636 6.863 1.00 -0.07 C HETATM 1647 C19 G A 9 19.846 18.406 7.463 1.00 -0.05 C HETATM 1648 C20 G A 9 18.756 17.532 7.703 1.00 0.04 C HETATM 1649 C22 G A 9 18.958 16.239 8.398 1.00 0.21 C HETATM 1650 O23 G A 9 18.553 16.129 9.572 1.00 -0.38 O HETATM 1651 N24 G A 9 19.604 15.205 7.805 1.00 -0.27 N HETATM 1652 C29 G A 9 19.997 15.236 6.360 1.00 0.06 C HETATM 1653 C28 G A 9 19.216 14.115 5.659 1.00 0.07 C HETATM 1654 O27 G A 9 19.505 12.865 6.307 1.00 -0.38 O HETATM 1655 C26 G A 9 19.104 12.831 7.691 1.00 0.07 C HETATM 1656 C25 G A 9 19.825 13.920 8.495 1.00 0.06 C HETATM 1657 H17 G A 9 19.415 13.967 9.515 1.00 0.05 H HETATM 1658 H18 G A 9 20.902 13.700 8.542 1.00 0.05 H HETATM 1659 H21 G A 9 18.018 12.995 7.756 1.00 0.06 H HETATM 1660 H22 G A 9 19.352 11.847 8.114 1.00 0.06 H HETATM 1661 H15 G A 9 19.518 14.061 4.603 1.00 0.06 H HETATM 1662 H16 G A 9 18.137 14.322 5.722 1.00 0.06 H HETATM 1663 H8 G A 9 21.079 15.063 6.259 1.00 0.05 H HETATM 1664 H9 G A 9 19.738 16.210 5.919 1.00 0.05 H HETATM 1665 C21 G A 9 17.472 17.906 7.328 1.00 -0.05 C HETATM 1666 H23 G A 9 16.641 17.238 7.521 1.00 0.06 H HETATM 1667 H10 G A 9 20.848 18.110 7.750 1.00 0.06 H HETATM 1668 H11 G A 9 20.465 20.312 6.687 1.00 0.06 H HETATM 1669 H19 G A 9 18.170 20.953 6.019 1.00 0.06 H HETATM 1670 C9 G A 9 15.871 22.093 7.107 1.00 -0.07 C HETATM 1671 C10 G A 9 14.865 23.000 7.079 1.00 0.02 C HETATM 1672 N11 G A 9 13.710 22.422 6.598 1.00 -0.28 N HETATM 1673 H20 G A 9 12.803 22.896 6.481 1.00 0.23 H HETATM 1674 H5 G A 9 14.956 24.039 7.392 1.00 0.09 H HETATM 1675 H4 G A 9 16.890 22.255 7.456 1.00 0.03 H HETATM 1676 O15 G A 9 11.876 20.326 5.604 1.00 -0.41 O HETATM 1677 H1 G A 9 11.889 18.181 4.670 1.00 0.07 H HETATM 1678 H2 G A 9 13.378 17.263 4.260 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1628 1629 1637 1677 1678 CONECT 1629 1628 1630 1635 1636 CONECT 1630 1629 1631 1634 CONECT 1631 1630 1632 1633 CONECT 1632 1631 CONECT 1633 1631 CONECT 1634 1630 CONECT 1635 1629 CONECT 1636 1629 CONECT 1637 1628 1638 1642 CONECT 1638 1637 1639 1676 CONECT 1639 1638 1640 1672 CONECT 1640 1639 1641 1670 CONECT 1641 1640 1642 1644 CONECT 1642 1637 1641 1643 CONECT 1643 1642 CONECT 1644 1641 1645 1665 CONECT 1645 1644 1646 1669 CONECT 1646 1645 1647 1668 CONECT 1647 1646 1648 1667 CONECT 1648 1647 1649 1665 CONECT 1649 1648 1650 1651 CONECT 1650 1649 CONECT 1651 1649 1652 1656 CONECT 1652 1651 1653 1663 1664 CONECT 1653 1652 1654 1661 1662 CONECT 1654 1653 1655 CONECT 1655 1654 1656 1659 1660 CONECT 1656 1651 1655 1657 1658 CONECT 1657 1656 CONECT 1658 1656 CONECT 1659 1655 CONECT 1660 1655 CONECT 1661 1653 CONECT 1662 1653 CONECT 1663 1652 CONECT 1664 1652 CONECT 1665 1644 1648 1666 CONECT 1666 1665 CONECT 1667 1647 CONECT 1668 1646 CONECT 1669 1645 CONECT 1670 1640 1671 1675 CONECT 1671 1670 1672 1674 CONECT 1672 1639 1671 1673 CONECT 1673 1672 CONECT 1674 1671 CONECT 1675 1670 CONECT 1676 1638 CONECT 1677 1628 CONECT 1678 1628 MASTER 0 0 0 0 0 0 0 0 1677 1 55 11 END
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Structure:
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Related entries of code: 6df4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i1q
RCSB PDB
PDBbind
144aa, >5I1Q_1|Chain... at 100%
5i29
RCSB PDB
PDBbind
144aa, >5I29_1|Chain... at 100%
5mg2
RCSB PDB
PDBbind
137aa, >5MG2_1|Chain... at 98%
6df7
RCSB PDB
PDBbind
167aa, >6DF7_1|Chains... at 100%
6bqd
RCSB PDB
PDBbind
130aa, >6BQD_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6df4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Transcription initiation factor TFIID subunit
Ligand Name
G9Y
EC.Number
E.C.-.-.-.-
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
IC50=0.023uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 9301-9315
Ligand Properties
Formula
C
2
2
H
2
3
N
3
O
3
Molecular Weight
377.436
Exact Mass
377.174
No. of atoms
51
No. of bonds
54
Polar Surface Area
67.33
LOGP Value
2.01 (
Computed with XLOGP3
)
2.98 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
C=CCCn1cc(c2cccc(c2)C(=O)N2CCOCC2)c2c(c1=O)[nH]cc2
InChI String
InChI=1S/C22H23N3O3/c1-2-3-9-25-15-19(18-7-8-23-20(18)22(25)27)16-5-4-6-17(14-16)21(26)24-10-12-28-13-11-24/h2,4-8,14-15,23H,1,3,9-13H2
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
U3KMH2
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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